cpdID:ID,name,type,:Label,SMILES,InchKey,Kingdom,Superclass,Class,Subclass,Parent_Level_1,Parent_Level_2,Parent_Level_3,Parent_Level_4,Parent_Level_5,PParent_Level_6,Parent_Level_7
1,Acetyl-DL-carnitine,OtherMutliCpd,Compound,CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,RDHQFKQIGNGIED-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
4,1-Aminopropan-2-ol,OtherMutliCpd,Compound,CC(CN)O,HXKKHQJGJAFBHI-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
19,"2	3-Dihydroxybenzoic acid",OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)O)C(=O)O,GLDQAMYCGOIJDV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
22,2-Acetolactate,OtherMutliCpd,Compound,CC(=O)C(C)(C(=O)O)O,NMDWGEGFJUBKLB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
29,3-oxoalanine,OtherMutliCpd,Compound,C(=O)C(C(=O)O)N,XMTCKNXTTXDPJX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
45,Tartronic acid,OtherMutliCpd,Compound,C(C(=O)O)(C(=O)O)O,ROBFUDYVXSDBQM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
47,3-Methyl-2-oxovaleric acid,OtherMutliCpd,Compound,CCC(C)C(=O)C(=O)O,JVQYSWDUAOAHFM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
48,alpha-Ketoglutaramate,OtherMutliCpd,Compound,C(CC(=O)N)C(=O)C(=O)O,COJBGNAUUSNXHX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
49,3-Methyl-2-oxobutanoic acid,OtherMutliCpd,Compound,CC(C)C(=O)C(=O)O,QHKABHOOEWYVLI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
50,2-Oxogluconic acid,OtherMutliCpd,Compound,C(C(C(C(C(=O)C(=O)O)O)O)O)O,VBUYCZFBVCCYFD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
51,2-ketoglutaric acid,OtherMutliCpd,Compound,C(CC(=O)O)C(=O)C(=O)O,KPGXRSRHYNQIFN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
53,alpha-methylacetoacetyl-CoA,OtherMutliCpd,Compound,CC(C(=O)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NHNODHRSCRALBF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
58,2-oxobutanoic acid,OtherMutliCpd,Compound,CCC(=O)C(=O)O,TYEYBOSBBBHJIV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
59,glycerate 2-phosphate,OtherMutliCpd,Compound,C(C(C(=O)O)OP(=O)(O)O)O,GXIURPTVHJPJLF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
70,4-Methyl-2-oxovaleric acid,OtherMutliCpd,Compound,CC(C)CC(=O)C(=O)O,BKAJNAXTPSGJCU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
71,2-Oxoadipic acid,OtherMutliCpd,Compound,C(CC(=O)C(=O)O)CC(=O)O,FGSBNBBHOZHUBO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
72,"3	4-DIHYDROXYBENZOIC ACID",OtherMutliCpd,Compound,C1=CC(=C(C=C1C(=O)O)O)O,YQUVCSBJEUQKSH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
75,3-Aminopropanal,OtherMutliCpd,Compound,C(CN)C=O,PCXDJQZLDDHMGX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
86,2-Amino-3-hydroxybenzoic acid,OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)N)C(=O)O,WJXSWCUQABXPFS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
88,(S)-3-Hydroxyisobutyryl-CoA,OtherMutliCpd,Compound,CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,WWEOGFZEFHPUAM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
89,3-Hydroxy-dl-kynurenine,OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N,VCKPUUFAIGNJHC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
91,3-(3-hydroxyphenyl)propanoic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)CCC(=O)O,QVWAEZJXDYOKEH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
93,3-Oxoadipic acid,OtherMutliCpd,Compound,C(CC(=O)O)C(=O)CC(=O)O,RTGHRDFWYQHVFW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
96,acetoacetic acid,OtherMutliCpd,Compound,CC(=O)CC(=O)O,WDJHALXBUFZDSR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
98,3-mercaptopyruvic acid,OtherMutliCpd,Compound,C(C(=O)C(=O)O)S,OJOLFAIGOXZBCI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Alpha-keto acids and derivatives,Alpha-keto acids and derivatives,none,none,none,none,none,none
105,Phosphohydroxypyruvic acid,OtherMutliCpd,Compound,C(C(=O)C(=O)O)OP(=O)(O)O,LFLUCDOSQPJJBE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Glycerone and derivatives,Glycerone phosphates,none,none,none,none
106,dl-O-Phosphoserine,OtherMutliCpd,Compound,C(C(C(=O)O)N)OP(=O)(O)O,BZQFBWGGLXLEPQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
107,3-phenylpropionic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)O,XMIIGOLPHOKFCH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
108,3-pyridineacetic acid,OtherMutliCpd,Compound,C1=CC(=CN=C1)CC(=O)O,WGNUNYPERJMVRM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
110,b-sulfinyl pyruvate,OtherMutliCpd,Compound,C(C(=O)C(=O)O)S(=O)O,JXYLQEMXCAAMOL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Alpha-keto acids and derivatives,Alpha-keto acids and derivatives,none,none,none,none,none,none
111,3-Ureidopropionic acid,OtherMutliCpd,Compound,C(CNC(=O)N)C(=O)O,JSJWCHRYRHKBBW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,Ureas,Ureas,none,none,none,none,none,none
114,3-pyridinebutanoic acid,OtherMutliCpd,Compound,C1=CC(=CN=C1)CCCC(=O)O,MFYZACBRKCFXDV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
118,4-aminobutanal,OtherMutliCpd,Compound,C(CC=O)CN,DZQLQEYLEYWJIB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
119,4-aminobutyric acid,Drug,Compound,C(CC(=O)O)CN,BTCSSZJGUNDROE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
125,4-hydroxybenzyl alcohol,OtherMutliCpd,Compound,C1=CC(=CC=C1CO)O,BVJSUAQZOZWCKN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
126,4-hydroxybenzaldehyde,OtherMutliCpd,Compound,C1=CC(=CC=C1C=O)O,RGHHSNMVTDWUBI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,Benzaldehydes,Hydroxybenzaldehydes,none,none,none
127,4-hydroxyphenylacetic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(=O)O)O,XQXPVVBIMDBYFF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
128,Imidazol-4-one-5-propionic acid,OtherMutliCpd,Compound,C1=NC(C(=O)N1)CCC(=O)O,HEXMLHKQVUFYME-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Imidazoles,Substituted imidazoles,Imidazolyl carboxylic acids and derivatives,none,none,none,none,none
129,4-methylpentanal,OtherMutliCpd,Compound,CC(C)CCC=O,JGEGJYXHCFUMJF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
131,3-{2-HYDROXY-3-METHYL-3-[(PHOSPHONOOXY)METHYL]BUTANAMIDO}PROPANOIC ACID,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O,XHFVGHPGDLDEQO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
133,Trimethylaminobutyraldehyde,OtherMutliCpd,Compound,C[N+](C)(C)CCCC=O,OITBLCDWXSXNCN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
134,gamma-butyrobetaine,OtherMutliCpd,Compound,C[N+](C)(C)CCCC(=O)O,JHPNVNIEXXLNTR-UHFFFAOYSA-O,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
135,4-HYDROXYBENZOIC ACID,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)O)O,FJKROLUGYXJWQN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
137,5-Aminolevulinic acid,Drug,Compound,C(CC(=O)O)C(=O)CN,ZGXJTSGNIOSYLO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Delta amino acids and derivatives,none,none,none,none,none
138,5-Aminovaleric acid,OtherMutliCpd,Compound,C(CCN)CC(=O)O,JJMDCOVWQOJGCB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Delta amino acids and derivatives,none,none,none,none,none
140,27-Deoxy-5alpha-cyprinol,OtherMutliCpd,Compound,CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)CO,XJZGNVBLVFOSKJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
143,folinic acid,Drug,Compound,C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,VVIAGPKUTFNRDU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
144,5-Hydroxy-DL-tryptophan,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N,LDCYZAJDBXYCGN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,none,none,none,none,none,none
154,AC1L18LI,OtherMutliCpd,Compound,C(C1C(C(C(O1)N=C(CNC=O)N)O)O)OP(=O)(O)O,PMCOGCVKOAOZQM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
157,hex-5-ulosonic acid,OtherMutliCpd,Compound,C(C(=O)C(C(C(C(=O)O)O)O)O)O,IZSRJDGCGRAUAR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
170,dihydropteroate,OtherMutliCpd,Compound,C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)O,WBFYVDCHGVNRBH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pterins and derivatives,none,none,none,none,none,none
171,7-Aminomethyl-7-carbaguanine,OtherMutliCpd,Compound,C1=C(C2=C(N1)NC(=NC2=O)N)CN,MEYMBLGOKYDGLZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrimidines,Pyrrolo[2--3-d]pyrimidines,Pyrrolo[2--3-d]pyrimidines,none,none,none,none,none,none
173,8-Amino-7-oxononanoic acid,OtherMutliCpd,Compound,CC(C(=O)CCCCCC(=O)O)N,GUAHPAJOXVYFON-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
174,ETHYLENE GLYCOL,Drug,Compound,C(CO)O,LYCAIKOWRPUZTN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
175,acetate,Drug,Compound,CC(=O)[O-],QTBSBXVTEAMEQO-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
176,acetic acid,OtherMutliCpd,Compound,CC(=O)O,QTBSBXVTEAMEQO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
177,acetaldehyde,OtherMutliCpd,Compound,CC=O,IKHGUXGNUITLKF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Short-chain aldehydes,none,none,none,none,none
178,acetamide,OtherMutliCpd,Compound,CC(=O)N,DLFVBJFMPXGRIB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
179,acetoin,OtherMutliCpd,Compound,CC(C(=O)C)O,ROWKJAVDOGWPAT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Acyloins,none,none,none,none,none,none
180,acetone,OtherMutliCpd,Compound,CC(=O)C,CSCPPACGZOOCGX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
185,2-acetamidopentanedioic acid,OtherMutliCpd,Compound,CC(=O)NC(CCC(=O)O)C(=O)O,RFMMMVDNIPUKGG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
186,acetylphosphate,OtherMutliCpd,Compound,CC(=O)OP(=O)(O)O,LIPOUNRJVLNBCD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Acyl phosphates,Acyl monophosphates,none,none,none,none,none
190,adenine,OtherMutliCpd,Compound,C1=NC2=C(N1)C(=NC=N2)N,GFFGJBXGBJISGV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
192,adpribose,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O,SRNWOUGRCWSEMX-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
196,adipic acid,OtherMutliCpd,Compound,C(CCC(=O)O)CC(=O)O,WNLRTRBMVRJNCN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
199,Agmatine,Drug,Compound,C(CCN=C(N)N)CN,QYPPJABKJHAVHS-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Guanidines,Guanidines,none,none,none,none,none,none
203,Allantoic acid,OtherMutliCpd,Compound,C(C(=O)O)(NC(=O)N)NC(=O)N,NUCLJNSWZCHRKL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-carbamoyl-alpha amino acids and derivatives,N-carbamoyl-alpha amino acids,none,none,none
204,allantoin,OtherMutliCpd,Compound,C1(C(=O)NC(=O)N1)NC(=O)N,POJWUDADGALRAB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Imidazoles,Imidazoles,none,none,none,none,none,none
206,Hexopyranose,Drug,Compound,C(C1C(C(C(C(O1)O)O)O)O)O,WQZGKKKJIJFFOK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
207,allysine,OtherMutliCpd,Compound,C(CC=O)CC(C(=O)O)N,GFXYTQPNNXGICT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
215,1-aminopropan-2-one,OtherMutliCpd,Compound,CC(=O)CN,BCDGQXUMWHRQCB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-amino ketones,none,none,none,none,none
220,Aminoparathion,OtherMutliCpd,Compound,CCOP(=S)(OCC)OC1=CC=C(C=C1)N,XIZOTXGJXSTQDI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic thiophosphoric acids and derivatives,Thiophosphoric acid esters,Aryl thiophosphates,Phenyl thiophosphates,none,none,none,none,none
227,anthranilic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)N,RWZYAGGXGHYGMB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
234,Arsenic acid,OtherMutliCpd,Compound,O[As](=O)(O)O,DJHGAFSJWGLOIV-UHFFFAOYSA-N,Inorganic compounds,Mixed metal/non-metal compounds,Miscellaneous mixed metal/non-metals,Miscellaneous metallic oxoanionic compounds,Miscellaneous arsenates,none,none,none,none,none,none
239,beta-alanine,OtherMutliCpd,Compound,C(CN)C(=O)O,UCMIRNVEIXFBKS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
240,benzaldehyde,OtherMutliCpd,Compound,C1=CC=C(C=C1)C=O,HUMNYLRZRPPJDN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
243,benzoic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)O,WPYMKLBDIGXBTP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
244,benzyl alcohol,OtherMutliCpd,Compound,C1=CC=C(C=C1)CO,WVDDGKGOMKODPV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
249,betaine aldehyde,OtherMutliCpd,Compound,C[N+](C)(C)CC=O,SXKNCCSPZDCRFD-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Tetraalkylammonium salts,none,none,none,none,none,none
261,butyraldehyde,OtherMutliCpd,Compound,CCCC=O,ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
262,"2	3-butanediol",OtherMutliCpd,Compound,CC(C(C)O)O,OWBTYPJTUOEWEK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
263,1-butanol,OtherMutliCpd,Compound,CCCCO,LRHPLDYGYMQRHN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
264,butyric acid,OtherMutliCpd,Compound,CCCC(=O)O,FERIUCNNQQJTOY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
265,butanoyl-CoA,OtherMutliCpd,Compound,CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,CRFNGMNYKDXRTN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
289,pyrocatechol,OtherMutliCpd,Compound,C1=CC=C(C(=C1)O)O,YCIMNLLNPGFGHC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
296,Methylmalonate semialdehyde,OtherMutliCpd,Compound,CC(C=O)C(=O)O,VOKUMXABRRXHAR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,none,none,none,none,none,none
300,chloroacetic acid,OtherMutliCpd,Compound,C(C(=O)O)Cl,FOCAUTSVDIKZOP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Alpha-halocarboxylic acids and derivatives,Alpha-halocarboxylic acids,none,none,none,none,none,none
305,choline,OtherMutliCpd,Compound,C[N+](C)(C)CCO,OEYIOHPDSNJKLS-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,none,none,none,none,none,none
311,citric acid,OtherMutliCpd,Compound,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,KRKNYBCHXYNGOX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
321,coproporphyrinogen III,OtherMutliCpd,Compound,CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C,NIUVHXTXUXOFEB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
325,4-isopropylbenzyl alcohol,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)CO,OIGWAXDAPKFNCQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
326,4-isopropylbenzaldehyde,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)C=O,WTWBUQJHJGUZCY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
328,4-Hydroxyphenylglycolic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(C(=O)O)O)O,YHXHKYRQLYQUIH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
332,2-Methoxy-4-vinylphenol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C=C)O,YOMSJEATGXXYPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
333,5-amino-6-(5'-phosphoribitylamino)uracil,OtherMutliCpd,Compound,C(C(C(C(COP(=O)(O)O)O)O)O)NC1=C(C(=O)NC(=O)N1)N,RQRINYISXYAZKL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
335,o-cresol,OtherMutliCpd,Compound,CC1=CC=CC=C1O,QWVGKYWNOKOFNN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Ortho cresols,none,none,none,none,none,none
338,salicylic acid,Drug,Compound,C1=CC=C(C(=C1)C(=O)O)O,YGSDEFSMJLZEOE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
340,3-methylcatechol,OtherMutliCpd,Compound,CC1=C(C(=CC=C1)O)O,PGSWEKYNAOWQDF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
341,Digallic acid,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O,COVFEVWNJUOYRL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
342,m-cresol,OtherMutliCpd,Compound,CC1=CC(=CC=C1)O,RLSSMJSEOOYNOY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Meta cresols,none,none,none,none,none,none
366,7-Acetoxy-4-methylcoumarin,OtherMutliCpd,Compound,CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C,HXVZGASCDAGAPS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
379,octanoic acid,OtherMutliCpd,Compound,CCCCCCCC(=O)O,WWZKQHOCKIZLMA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
380,capryloyl-CoA,OtherMutliCpd,Compound,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,KQMZYOXOBSXMII-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
385,pimelic acid,OtherMutliCpd,Compound,C(CCC(=O)O)CCC(=O)O,WLJVNTCWHIRURA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
389,"2	5-Diaminopentanoic acid",OtherMutliCpd,Compound,C(CC(C(=O)O)N)CN,AHLPHDHHMVZTML-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
397,indole-3-acetamide,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(=O)N,ZOAMBXDOGPRZLP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
403,4-aminophenol,OtherMutliCpd,Compound,C1=CC(=CC=C1N)O,PLIKAWJENQZMHA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
408,rac Cotinine,OtherMutliCpd,Compound,CN1C(CCC1=O)C2=CN=CC=C2,UIKROCXWUNQSPJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
409,nicotine-1'-N-oxide,OtherMutliCpd,Compound,C[N+]1(CCCC1C2=CN=CC=C2)[O-],RWFBQHICRCUQJJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
412,3-(pyrrolidin-2-yl)pyridine,OtherMutliCpd,Compound,C1CC(NC1)C2=CN=CC=C2,MYKUKUCHPMASKF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
413,norcotinine,OtherMutliCpd,Compound,C1CC(=O)NC1C2=CN=CC=C2,FXFANIORDKRCCA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
421,Dihydrolipoic acid,OtherMutliCpd,Compound,C(CCC(=O)O)CC(CCS)S,IZFHEQBZOYJLPK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
428,"1	3-diaminopropane",OtherMutliCpd,Compound,C(CN)CN,XFNJVJPLKCPIBV-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
430,N-Methylnicotinium,OtherMutliCpd,Compound,CN1CCCC1C2=C[N+](=CC=C2)C,HIOROZIUERMMRQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
431,nicotine imine,OtherMutliCpd,Compound,C[N+]1=CCCC1C2=CN=CC=C2,GTQXYYYOJZZJHL-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,none,none,Alkaloids and derivatives,none,none,none,none,none,none
432,2'-hydroxynicotine,OtherMutliCpd,Compound,CN1CCCC1(C2=CN=CC=C2)O,BOQRPPFUUSHFGW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
434,pseudooxynicotine,OtherMutliCpd,Compound,CNCCCC(=O)C1=CN=CC=C1,SGDIDUFQYHRMPR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
435,4-(3-pyridyl)-4-oxobutyramide,OtherMutliCpd,Compound,C1=CC(=CN=C1)C(=O)CCC(=O)N,DJEKVKGYYASXCW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
436,Oxoamide,OtherMutliCpd,Compound,CNC(=O)CCC(=O)C1=CN=CC=C1,WOOSCPWOYYLIHS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
437,3-succinoylpyridine,OtherMutliCpd,Compound,C1=CC(=CN=C1)C(=O)CCC(=O)O,JGSUNMCABQUBOY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
438,4-hydroxy-4-(3-pyridyl)-butanoic acid,OtherMutliCpd,Compound,C1=CC(=CN=C1)C(CCC(=O)O)O,STZOZPPVGWNSMC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
441,3-hydroxybutyric acid,OtherMutliCpd,Compound,CC(CC(=O)O)O,WHBMMWSBFZVSSR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
444,bupropion,Drug,Compound,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,SNPPWIUOZRMYNY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
445,2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol,OtherMutliCpd,Compound,CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C,NDPTTXIBLSWNSF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
446,hydroxybupropion,OtherMutliCpd,Compound,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO,AKOAEVOSDHIVFX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
447,3-chlorobenzoic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)Cl)C(=O)O,LULAYUGMBFYYEX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Halobenzoic acids and derivatives,Halobenzoic acids,none,none,none,none,none
448,(3-Chloro-benzoylamino)-acetic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)O,ICYUIIJXZHPESK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
449,DL-Mevalonic acid,OtherMutliCpd,Compound,CC(CCO)(CC(=O)O)O,KJTLQQUUPVSXIM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
454,Octanal,OtherMutliCpd,Compound,CCCCCCCC=O,NUJGJRNETVAIRJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
457,Trigonellinamide,OtherMutliCpd,Compound,C[N+]1=CC=CC(=C1)C(=O)N,LDHMAVIPBRSVRG-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxamides,Nicotinamides,none,none,none,none,none
458,S-methylmethionine,OtherMutliCpd,Compound,C[S+](C)CCC(C(=O)O)N,YDBYJHTYSHBBAU-UHFFFAOYSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Methionine and derivatives,none,none,none,none
460,guaiacol,OtherMutliCpd,Compound,COC1=CC=CC=C1O,LHGVFZTZFXWLCP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
463,N2-Succinoylarginine,OtherMutliCpd,Compound,C(CC(C(=O)O)NC(=O)CCC(=O)O)CN=C(N)N,UMOXFSXIFQOWTD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
464,Hippuric acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NCC(=O)O,QIAFMBKCNZACKA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
469,2-Aminohexanedioic acid,OtherMutliCpd,Compound,C(CC(C(=O)O)N)CC(=O)O,OYIFNHCXNCRBQI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
470,"2	4-Diaminobutanoic acid",OtherMutliCpd,Compound,C(CN)C(C(=O)O)N,OGNSCSPNOLGXSM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
472,"4-(2-aminophenyl)-2	4-dioxobutanoic acid",OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)CC(=O)C(=O)O)N,CAOVWYZQMPNAFJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
473,4-Methylthio-2-oxobutanoic acid,OtherMutliCpd,Compound,CSCCC(=O)C(=O)O,SXFSQZDSUWACKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Thia fatty acids,none,none,none,none,none,none
479,Lactobacillus bulgaricus factor,OtherMutliCpd,Compound,CC(C)(CO)C(C(=O)NCCC(=O)NCCS)O,ZNXZGRMVNNHPCA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
487,Methylmalonic acid,OtherMutliCpd,Compound,CC(C(=O)O)C(=O)O,ZIYVHBGGAOATLY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
493,ADP-Ribosyl-L-arginine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)NC(=NCCCC(C(=O)O)N)N)O)O)O)O,IWVSYNGKNZFSSA-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
496,N1-Acetylspermidine,OtherMutliCpd,Compound,CC(=O)NCCCNCCCCN,MQTAVJHICJWXBR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
499,DL-Pyroglutamic acid,OtherMutliCpd,Compound,C1CC(=O)NC1C(=O)O,ODHCTXKNWHHXJC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
500,4-Guanidinobutyric acid,OtherMutliCpd,Compound,C(CC(=O)O)CN=C(N)N,TUHVEAJXIMEOSA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
502,N-carbamoylputrescine,OtherMutliCpd,Compound,C(CCNC(=O)N)CN,YANFYYGANIYHGI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Isoureas,none,none,none,none,none,none
504,4-imidazolone,OtherMutliCpd,Compound,C1C(=O)NC=N1,CAAMSDWKXXPUJR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
511,thiamin triphosphate,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O,IWLROWZYZPNOFC-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
513,d.l-methylisocitrate,OtherMutliCpd,Compound,CC(C(CC(=O)O)C(=O)O)(C(=O)O)O,HHKPKXCSHMJWCF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
515,2-Methylcitric acid,OtherMutliCpd,Compound,CC(C(=O)O)C(CC(=O)O)(C(=O)O)O,YNOXCRMFGMSKIJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
525,malic acid,OtherMutliCpd,Compound,C(C(C(=O)O)O)C(=O)O,BJEPYKJPYRNKOW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
527,Propionaldehyde,OtherMutliCpd,Compound,CCC=O,NBBJYMSMWIIQGU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
528,4-(acetyloxy)-2-aminobutanoic acid,OtherMutliCpd,Compound,CC(=O)OCCC(C(=O)O)N,FCXZBWSIAGGPCB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
530,5-Formiminotetrahydrofolic acid,OtherMutliCpd,Compound,C1C(N(C2=C(N1)NC(=NC2=O)N)C=N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,YCWUVLPMLLBDCU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
535,1-Aminocyclopropanecarboxylic acid,OtherMutliCpd,Compound,C1CC1(C(=O)O)N,PAJPWUMXBYXFCZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
544,arsenite,OtherMutliCpd,Compound,[O-][As]([O-])[O-],OWTFKEBRIAXSMO-UHFFFAOYSA-N,Inorganic compounds,Mixed metal/non-metal compounds,Miscellaneous mixed metal/non-metals,Miscellaneous metallic oxoanionic compounds,Miscellaneous arsenites,none,none,none,none,none,none
546,Phosphonoacetic acid,OtherMutliCpd,Compound,C(C(=O)O)P(=O)(O)O,XUYJLQHKOGNDPB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphonic acids and derivatives,Organic phosphonic acids,Organic phosphonic acids,none,none,none,none,none,none
547,"3	4-Dihydroxyphenylacetic acid",OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(=O)O)O)O,CFFZDZCDUFSOFZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
558,2-oxoarginine,OtherMutliCpd,Compound,C(CC(=O)C(=O)O)CN=C(N)N,ARBHXJXXVVHMET-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
563,3-(Methylthio)propionic acid,OtherMutliCpd,Compound,CSCCC(=O)O,CAOMCZAIALVUPA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
564,6-aminohexanoic acid,Drug,Compound,C(CCC(=O)O)CCN,SLXKOJJOQWFEFD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
583,cotinine methonium ion,OtherMutliCpd,Compound,CN1C(CCC1=O)C2=C[N+](=CC=C2)C,VHRXFWHPQMABEK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
588,creatinine,OtherMutliCpd,Compound,CN1CC(=O)N=C1N,DDRJAANPRJIHGJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
595,DL-CYSTINE,OtherMutliCpd,Compound,C(C(C(=O)O)N)SSCC(C(=O)O)N,LEVWYRKDKASIDU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
599,2-Hydroxy-4-oxopentanedioic acid,OtherMutliCpd,Compound,C(C(C(=O)O)O)C(=O)C(=O)O,WXSKVKPSMAHCSG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
601,DL-Alanyl-DL-alanine,OtherMutliCpd,Compound,CC(C(=O)NC(C)C(=O)O)N,DEFJQIDDEAULHB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
602,DL-ALANINE,OtherMutliCpd,Compound,CC(C(=O)O)N,QNAYBMKLOCPYGJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
607,mucic acid,OtherMutliCpd,Compound,C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O,DSLZVSRJTYRBFB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
611,DL-Glutamic acid,OtherMutliCpd,Compound,C(CC(=O)O)C(C(=O)O)N,WHUUTDBJXJRKMK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
612,lactic acid,Drug,Compound,CC(C(=O)O)O,JVTAAEKCZFNVCJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,none,none,none,none,none,none
618,Alditol 6-phosphate,OtherMutliCpd,Compound,C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O,GACTWZZMVMUKNG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
632,THDPA,OtherMutliCpd,Compound,C1CC(N=C(C1)C(=O)O)C(=O)O,CXMBCXQHOXUCEO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
648,hydroorotic acid,OtherMutliCpd,Compound,C1C(NC(=O)NC1=O)C(=O)O,UFIVEPVSAGBUSI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
649,dihydrouracil,OtherMutliCpd,Compound,C1CNC(=O)NC1=O,OIVLITBTBDPEFK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,none,none,none,none,none,none
654,diethyl hydrogen phosphate,OtherMutliCpd,Compound,CCOP(=O)(O)OCC,UCQFCFPECQILOL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Alkyl phosphates,Dialkyl phosphates,none,none,none,none,none
655,DETP,OtherMutliCpd,Compound,CCOP(=S)(O)OCC,PKUWKAXTAVNIJR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic thiophosphoric acids and derivatives,Thiophosphoric acid esters,Thiophosphate diesters,none,none,none,none,none,none
660,dihydrocoumarin,OtherMutliCpd,Compound,C1CC(=O)OC2=CC=CC=C21,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,3--4-dihydrocoumarins,none,3--4-dihydrocoumarins,none,none,none,none,none,none
662,Aromadedrin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,PADQINQHPQKXNL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,Flavanonols,none,none,none,none,none
668,DIHYDROXYACETONE PHOSPHATE,OtherMutliCpd,Compound,C(C(=O)COP(=O)(O)O)O,GNGACRATGGDKBX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
670,"1	3-dihydroxyacetone",OtherMutliCpd,Compound,C(C(=O)CO)O,RXKJFZQQPQGTFL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
673,"N	N-dimethylglycine",OtherMutliCpd,Compound,CN(C)CC(=O)O,FFDGPVCHZBVARC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
675,"5	6-Dimethylbenzimidazole",OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N=CN2,LJUQGASMPRMWIW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
681,dopamine,Drug,Compound,C1=CC(=C(C=C1CCN)O)O,VYFYYTLLBUKUHU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,Catecholamines and derivatives,none,none,none,none,none
682,L-dopaquinone,OtherMutliCpd,Compound,C1=CC(=O)C(=O)C=C1CC(C(=O)O)N,AHMIDUVKSGCHAU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
683,"1	3-biphosphoglycerate",OtherMutliCpd,Compound,C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O,LJQLQCAXBUHEAZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Acyl phosphates,Acyl monophosphates,none,none,none,none,none
697,CHEMBL75612,OtherMutliCpd,Compound,C(C(C(C=O)O)O)OP(=O)(O)O,NGHMDNPXVRFFGS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
700,Ethanolamine,OtherMutliCpd,Compound,C(CO)N,HZAXFHJVJLSVMW-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
702,ethanol,Drug,Compound,CCO,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
724,glycerate 3-phosphate,OtherMutliCpd,Compound,C(C(C(=O)O)O)OP(=O)(O)O,OSJPPGNTCRNQQC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
725,Butyrobetaine,OtherMutliCpd,Compound,C[N+](C)(C)CCCC(=O)[O-],JHPNVNIEXXLNTR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
729,GLYCERALDEHYDE 3-PHOSPHATE,OtherMutliCpd,Compound,C(C(C=O)O)OP(=O)(O)O,LXJXRIRHZLFYRP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,Glyceraldehyde-3-phosphates,none,none,none,none
743,GLUTARIC ACID,OtherMutliCpd,Compound,C(CC(=O)O)CC(=O)O,JFCQEDHGNNZCLN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
750,glycine,OtherMutliCpd,Compound,C(C(=O)O)N,DHMQDGOQFOQNFH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
751,glyceraldehyde,OtherMutliCpd,Compound,C(C(C=O)O)O,MNQZXJOMYWMBOU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
752,DL-Glyceric acid,OtherMutliCpd,Compound,C(C(C(=O)O)O)O,RBNPOMFGQQGHHO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
753,glycerol,OtherMutliCpd,Compound,C(C(CO)O)O,PEDCQBHIVMGVHV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
755,N-Choloylglycine,OtherMutliCpd,Compound,CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,RFDAIACWWDREDC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
756,glycolaldehyde,OtherMutliCpd,Compound,C(C=O)O,WGCNASOHLSPBMP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Short-chain aldehydes,none,none,none,none,none
757,glycolic acid,OtherMutliCpd,Compound,C(C(=O)O)O,AEMRFAOFKBGASW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,none,none,none,none,none,none
760,glyoxylic acid,OtherMutliCpd,Compound,C(=O)C(=O)O,HHLFWLYXYJOTON-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
763,glycocyamine,OtherMutliCpd,Compound,C(C(=O)O)N=C(N)N,BPMFZUMJYQTVII-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
778,DL-Homocysteine,OtherMutliCpd,Compound,C(CS)C(C(=O)O)N,FFFHZYDWPBMWHY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
780,Homogentisic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)CC(=O)O)O,IGMNYECMUMZDDF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetic acids,2(hydroxyphenyl)acetic acids,none,none,none,none,none,none
782,5624-26-0,OtherMutliCpd,Compound,C(CC(=O)O)C1C(=O)NC(=O)N1,VWFWNXQAMGDPGG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,none,none,none,none
784,hydrogen peroxide,OtherMutliCpd,Compound,OO,MHAJPDPJQMAIIY-UHFFFAOYSA-N,Inorganic compounds,Homogeneous non-metal compounds,Homogeneous other non-metal compounds,none,Homogeneous other non-metal compounds,none,none,none,none,none,none
785,hydroquinone,Drug,Compound,C1=CC(=CC=C1O)O,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Hydroquinones,none,none,none,none,none,none
788,hydroxymethylbilane,OtherMutliCpd,Compound,C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O,WDFJYRZCZIUBPR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,none,Tetrapyrroles and derivatives,none,none,none,none,none,none
792,Imidazole-acetol phosphate,OtherMutliCpd,Compound,C1=C(NC=N1)CC(=O)COP(=O)(O)O,YCFFMSOLUMRAMD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Alkyl phosphates,Monoalkyl phosphates,none,none,none,none,none
796,iminoaspartate,OtherMutliCpd,Compound,C(C(=N)C(=O)O)C(=O)O,NMUOATVLLQEYHI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
798,indole,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CN2,SIKJAQJRHWYJAI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
800,indole-3-acetaldehyde,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC=O,WHOOUMGHGSPMGR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
801,3-indoleacetate,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-],SEOVTRFCIGRIMH-UHFFFAOYSA-M,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
802,indole-3-acetic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,SEOVTRFCIGRIMH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
805,"1	2	3	4	5	6-cyclohexanehexol	 1	4-bis(dihydrogen phosphate)",OtherMutliCpd,Compound,C1(C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O,PELZSPZCXGTUMR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
827,D-Arabitol,OtherMutliCpd,Compound,C(C(C(C(CO)O)O)O)O,HEBKCHPVOIAQTA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
832,4-oxo-O-phosphonohomoserine,OtherMutliCpd,Compound,C(C(C(=O)O)N)C(=O)OP(=O)(O)O,IXZNKTPIYKDIGG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
833,DL-Citrulline,OtherMutliCpd,Compound,C(CC(C(=O)O)N)CNC(=O)N,RHGKLRLOHDJJDR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
836,DL-DOPA,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,WTDRDQBEARUVNC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
847,DL-Methionine sulfoxide,OtherMutliCpd,Compound,CS(=O)CCC(C(=O)O)N,QEFRNWWLZKMPFJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
849,piperidine-2-carboxylic acid,OtherMutliCpd,Compound,C1CCNC(C1)C(=O)O,HXEACLLIILLPRG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
857,DL-Leucine,OtherMutliCpd,Compound,CC(C)CC(C(=O)O)N,ROHFNLRQFUQHCH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Leucine and derivatives,none,none,none,none
867,malonic acid,OtherMutliCpd,Compound,C(C(=O)O)C(=O)O,OFOBLEOULBTSOW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
868,Malonic semialdehyde,OtherMutliCpd,Compound,C(C=O)C(=O)O,OAKURXIZZOAYBC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,none,none,none,none,none,none
873,3-(2-Hydroxyphenyl)propionic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CCC(=O)O)O,CJBDUOMQLFKVQC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
876,DL-METHIONINE,OtherMutliCpd,Compound,CSCCC(C(=O)O)N,FFEARJCKVFRZRR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Methionine and derivatives,none,none,none,none
880,methylglyoxal,OtherMutliCpd,Compound,CC(=O)C=O,AIJULSRZWUXGPQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha ketoaldehydes,none,none,none,none,none
896,Melatonin,OtherMutliCpd,Compound,CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC,DRLFMBDRBRZALE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
902,4-acetamido-2-aminobutanoic acid,OtherMutliCpd,Compound,CC(=O)NCCC(C(=O)O)N,YLZRFVZUZIJABA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
903,N-Acetyl-5-hydroxytryptamine,OtherMutliCpd,Compound,CC(=O)NCCC1=CNC2=C1C=C(C=C2)O,MVAWJSIDNICKHF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
904,acetanilide,OtherMutliCpd,Compound,CC(=O)NC1=CC=CC=C1,FZERHIULMFGESH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
910,Formylkynurenine,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NC=O,BYHJHXPTQMMKCA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
913,2-(Methylamino)-1-phenylethanol,OtherMutliCpd,Compound,CNCC(C1=CC=CC=C1)O,ZCTYHONEGJTYQV-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
916,N1-acetylspermine,OtherMutliCpd,Compound,CC(=O)NCCCNCCCCNCCCN,GUNURVWAJRRUAV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Acetamides,none,none,none,none,none
931,naphthalene,OtherMutliCpd,Compound,C1=CC=C2C=CC=CC2=C1,UFWIBTONFRDIAS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
936,nicotinamide,OtherMutliCpd,Compound,C1=CC(=CN=C1)C(=O)N,DFPAKSUCGFBDDF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxamides,Nicotinamides,none,none,none,none,none
937,nicotinate,Drug,Compound,C1=CC(=CN=C1)C(=O)[O-],PVNIIMVLHYAWGP-UHFFFAOYSA-M,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
949,"N	N-dimethylaniline",OtherMutliCpd,Compound,CN(C)C1=CC=CC=C1,JLTDJTHDQAWBAV-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Tertiary amines,Tertiary alkylarylamines,Dialkylarylamines,none,none,none,none
951,dl-Norepinephrine,OtherMutliCpd,Compound,C1=CC(=C(C=C1C(CN)O)O)O,SFLSHLFXELFNJZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
957,1-octanol,OtherMutliCpd,Compound,CCCCCCCCO,KBPLFHHGFOOTCA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
964,3-Hydroxypyruvic acid,OtherMutliCpd,Compound,C(C(=O)C(=O)O)O,HHDDCCUIIUWNGJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
970,oxalacetic acid,OtherMutliCpd,Compound,C(C(=O)C(=O)O)C(=O)O,KHPXUQMNIQBQEV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
971,oxalic acid,OtherMutliCpd,Compound,C(=O)(C(=O)O)O,MUBZPKHOEPUJKR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
972,Oxalosuccinic acid,OtherMutliCpd,Compound,C(C(C(=O)C(=O)O)C(=O)O)C(=O)O,UFSCUAXLTRFIDC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
975,L-Glutathione (Oxidized),OtherMutliCpd,Compound,C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N,YPZRWBKMTBYPTK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
978,4-aminobenzoic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)O)N,ALYNCZNDIQEVRV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
979,4-Hydroxyphenylpyruvic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(=O)C(=O)O)O,KKADPXVIOXHVKN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
980,4-Nitrophenol,OtherMutliCpd,Compound,C1=CC(=CC=C1[N+](=O)[O-])O,BTJIUGUIPKRLHP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Nitrophenols,Nitrophenols,none,none,none,none,none,none
984,hexadecanal,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC=O,NIOYUNMRJMEDGI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
985,palmitic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O,IPCSVZSSVZVIGE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
987,pantetheine 4'-phosphate,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,JDMUPRLRUUMCTL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Alkyl phosphates,Monoalkyl phosphates,none,none,none,none,none
988,DL-Pantothenic acid,OtherMutliCpd,Compound,CC(C)(CO)C(C(=O)NCCC(=O)O)O,GHOKWGTUZJEAQD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
991,parathion,OtherMutliCpd,Compound,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],LCCNCVORNKJIRZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic thiophosphoric acids and derivatives,Thiophosphoric acid esters,Aryl thiophosphates,Phenyl thiophosphates,none,none,none,none,none
994,DL-PHENYLALANINE,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(C(=O)O)N,COLNVLDHVKWLRT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
996,phenol,OtherMutliCpd,Compound,C1=CC=C(C=C1)O,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
997,phenylpyruvic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)C(=O)O,BTNMPGBKDVTSJY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
998,phenylacetaldehyde,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC=O,DTUQWGWMVIHBKE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
1000,2-Amino-1-phenylethanol,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(CN)O,ULSIYEODSMZIPX-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
1009,AC1L1AJ2,OtherMutliCpd,Compound,C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C[N+](=C2N)C4C(C(C(O4)COP(=O)(O)O)O)O,KYTPWZMUSLPBJZ-UHFFFAOYSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside triphosphates,none,none,none,none,none,none
1012,AC1L1AJB,OtherMutliCpd,Compound,C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=NC3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N,QOUSHGMTBIIAHR-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole ribonucleosides and ribonucleotides,1-ribosyl-imidazolecarboxamides,1-ribosyl-imidazolecarboxamides,none,none,none,none,none,none
1015,2-Aminoethyl dihydrogen phosphate,OtherMutliCpd,Compound,C(COP(=O)(O)O)N,SUHOOTKUPISOBE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Phosphoethanolamines,none,none,none,none,none,none
1017,phthalic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)C(=O)O,XNGIFLGASWRNHJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
1018,picolinic acid,OtherMutliCpd,Compound,C1=CC=NC(=C1)C(=O)O,SIOXPEMLGUPBBT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
1021,porphobilinogen,OtherMutliCpd,Compound,C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O,QSHWIQZFGQKFMA-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
1024,methoxatin,OtherMutliCpd,Compound,C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O,MMXZSJMASHPLLR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Pyrroloquinolines,Pyrroloquinoline quinones,none,none,none,none,none,none
1028,Prephenic acid,OtherMutliCpd,Compound,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,FPWMCUPFBRFMLH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
1030,"1	2-propanediol",OtherMutliCpd,Compound,CC(CO)O,DNIAPMSPPWPWGF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
1031,1-propanol,OtherMutliCpd,Compound,CCCO,BDERNNFJNOPAEC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
1032,propionic acid,OtherMutliCpd,Compound,CCC(=O)O,XBDQKXXYIPTUBI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
1044,Purine,OtherMutliCpd,Compound,C1=C2C(=NC=N1)N=CN2,KDCGOANMDULRCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purines and purine derivatives,none,none,none,none,none,none
1045,putrescine,OtherMutliCpd,Compound,C(CCN)CN,KIDHWZJUCRJVML-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
1049,PYRIDINE,OtherMutliCpd,Compound,C1=CC=NC=C1,JUJWROOIHBZHMG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
1051,pyridoxal phosphate,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O,NGVDGCNFYWLIFO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridine carboxaldehydes,Pyridoxals and derivatives,none,none,none,none,none,none
1052,pyridoxamine,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)CN)CO,NHZMQXZHNVQTQA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridoxamines,Pyridoxamine 5'-phosphates,none,none,none,none,none,none
1053,pyridoxamine phosphate,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)CN)COP(=O)(O)O,ZMJGSOSNSPKHNH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridoxamines,Pyridoxamine 5'-phosphates,none,none,none,none,none,none
1054,pyridoxine,Drug,Compound,CC1=NC=C(C(=C1O)CO)CO,LXNHXLLTXMVWPM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridoxines,Pyridoxines,none,none,none,none,none,none
1055,pyridoxine-5'-phosphate,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)CO)COP(=O)(O)O,WHOMFKWHIQZTHY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridoxines,Pyridoxine-5'-phosphates,none,none,none,none,none,none
1060,Pyruvic acid,OtherMutliCpd,Compound,CC(=O)C(=O)O,LCTONWCANYUPML-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Alpha-keto acids and derivatives,Alpha-keto acids and derivatives,none,none,none,none,none,none
1066,quinolinic acid,OtherMutliCpd,Compound,C1=CC(=C(N=C1)C(=O)O)C(=O)O,GJAWHXHKYYXBSV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
1080,S-(Carboxymethyl)cysteine,OtherMutliCpd,Compound,C(C(C(=O)O)N)SCC(=O)O,GBFLZEXEOZUWRN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
1081,Citramalic acid,OtherMutliCpd,Compound,CC(CC(=O)O)(C(=O)O)O,XFTRTWQBIOMVPK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
1088,sarcosine,OtherMutliCpd,Compound,CNCC(=O)O,FSYKKLYZXJSNPZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
1110,succinic acid,OtherMutliCpd,Compound,C(CC(=O)O)C(=O)O,KDYFGRWQOYBRFD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
1112,Succinic semialdehyde,OtherMutliCpd,Compound,C(CC(=O)O)C=O,UIUJIQZEACWQSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
1122,tartronate semialdehyde,OtherMutliCpd,Compound,C(=O)C(C(=O)O)O,QWBAFPFNGRFSFB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
1130,thiamine,Drug,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO,JZRWCGZRTZMZEH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,none,none,none,none,none,none
1132,cocarboxylase,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O,AYEKOFBPNLCAJY-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
1135,thymine,OtherMutliCpd,Compound,CC1=CNC(=O)NC1=O,RWQNBRDOKXIBIV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Hydroxypyrimidines,none,none,none,none,none,none
1140,toluene,OtherMutliCpd,Compound,CC1=CC=CC=C1,YXFVVABEGXRONW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
1143,D-(+)-Trehalose,OtherMutliCpd,Compound,C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O,HDTRYLNUVZCQOY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
1148,DL-Tryptophan,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,QIVBCDIJIAJPQS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
1150,tryptamine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CCN,APJYDQYYACXCRM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
1169,UDP-N-acetylmuraminate,OtherMutliCpd,Compound,CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,NQBRVZNDBBMBLJ-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
1174,uracil,OtherMutliCpd,Compound,C1=CNC(=O)NC1=O,ISAKRJDGNUQOIC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,none,none,none,none,none,none
1175,uric acid,OtherMutliCpd,Compound,C12=C(NC(=O)N1)NC(=O)NC2=O,LEHOTFFKMJEONL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
1179,Uroporphyrinogen III,OtherMutliCpd,Compound,C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O,HUHWZXWWOFSFKF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
1183,vanillin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C=O)O,MWOOGOJBHIARFG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
1194,2756-89-0,OtherMutliCpd,Compound,C1CCN=C(C1)C(=O)O,GEJXSVNGWOSZPC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Tetrahydropyridines,none,none,none,none,none,none
1196,"3	4-dihydro-2H-pyrrole-2-carboxylic acid",OtherMutliCpd,Compound,C1CC(N=C1)C(=O)O,DWAKNKKXGALPNW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
1198,isocitric acid,OtherMutliCpd,Compound,C(C(C(C(=O)O)O)C(=O)O)C(=O)O,ODBLHEXUDAPZAU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
1237,NORMETANEPHRINE,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(CN)O)O,YNYAYWLBAHXHLL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
1254,dl-Menthol,OtherMutliCpd,Compound,CC1CCC(C(C1)O)C(C)C,NOOLISFMXDJSKH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
1256,Perillic acid,OtherMutliCpd,Compound,CC(=C)C1CCC(=CC1)C(=O)O,CDSMSBUVCWHORP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
1271,CCPG,OtherMutliCpd,Compound,C1C(C1C(=O)O)C(C(=O)O)N,GZOVEPYOCJWRFC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
1335,"2-(hydroxymethyl)pyrrolidine-3	4-diol",OtherMutliCpd,Compound,C1C(C(C(N1)CO)O)O,OQEBIHBLFRADNM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,none,Pyrrolidines,none,none,none,none,none,none
1374,"2-(hydroxymethyl)piperidine-3	4	5-triol",OtherMutliCpd,Compound,C1C(C(C(C(N1)CO)O)O)O,LXBIFEVIBLOUGU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
1483,"2	4	6-tribromophenol",OtherMutliCpd,Compound,C1=C(C=C(C(=C1Br)O)Br)Br,BSWWXRFVMJHFBN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Halophenols,Bromophenols,P-bromophenols,none,none,none,none,none
1491,"2	4-dihydroxybenzoic acid",OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)C(=O)O,UIAFKZKHHVMJGS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
1530,PhIP,OtherMutliCpd,Compound,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N,UQVKZNNCIHJZLS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
1563,2-hydroxymyristic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCC(C(=O)O)O,JYZJYKOZGGEXSX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
1585,2-Phenylaminoadenosine,OtherMutliCpd,Compound,C1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O,SCNILGOVBBRMBK-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
1669,4-(2-Aminoethyl)-2-methoxyphenol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCN)O,DIVQKHQLANKJQO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
1670,2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(C(=O)O)N)O,PFDUUKDQEHURQC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
1673,3-methyladenine,OtherMutliCpd,Compound,CN1C=NC(=C2C1=NC=N2)N,FSASIHFSFGAIJM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
1680,NSC692936,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C3C(CO2)C4=C(O3)C=C(C=C4)O)OC)C,FZFGGNNUYSILSL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
1738,Homovanillic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(=O)O)O,QRMZSPFSDQBLIX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
1752,4-nonylphenol,OtherMutliCpd,Compound,CCCCCCCCCC1=CC=C(C=C1)O,IGFHQQFPSIBGKE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
1775,phenytoin,Drug,Compound,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,CXOFVDLJLONNDW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,Phenylhydantoins,none,none,none
1825,5-HYDROXYDECANOIC ACID,OtherMutliCpd,Compound,CCCCCC(CCCC(=O)O)O,LMHJFKYQYDSOQO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
1826,5-Hydroxyindole-3-acetic acid,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=CN2)CC(=O)O,DUUGKQCEGZLZNO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
1832,"N	N-Dimethyl-5-methoxytryptamine",OtherMutliCpd,Compound,CN(C)CCC1=CNC2=C1C=C(C=C2)OC,ZSTKHSQDNIGFLM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
1833,5-METHOXYTRYPTAMINE,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)NC=C2CCN,JTEJPPKMYBDEMY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
1864,6-HYDROXYMELATONIN,OtherMutliCpd,Compound,CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O,OMYMRCXOJJZYKE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
1889,DL-Liquiritigenin,OtherMutliCpd,Compound,C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O,FURUXTVZLHCCNA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
1935,Tacrine,Drug,Compound,C1CCC2=NC3=CC=CC=C3C(=C2C1)N,YLJREFDVOIBQDA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,none,none,none,none,none,none
1978,acebutolol,Drug,Compound,CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C,GOEMGAFJFRBGGG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
1983,acetaminophen,Drug,Compound,CC(=O)NC1=CC=C(C=C1)O,RZVAJINKPMORJF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
2019,actinomycin D,Drug,Compound,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,RJURFGZVJUQBHK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
2022,acyclovir,Drug,Compound,C1=NC2=C(N1COCCO)NC(=NC2=O)N,MKUXAQIIEYXACX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,Hypoxanthines,none,none,none,none,none
2024,"4-(6-amino-9h-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3	4-d][1	3	2]dioxaphosphol-2-ol 2-oxide",OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3C4C(C(O3)CO)OP(=O)(O4)O,KMYWVDDIPVNLME-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Cyclic purine nucleotides,2'--3'-cyclic purine nucleotides,none,none,none,none,none,none
2041,2700-23-4,OtherMutliCpd,Compound,C1=CC(=CC=C1C=C(C#N)C#N)[N+](=O)[O-],BDTIGNGBIBFXSE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrobenzenes,none,none,none,none,none,none
2078,alachlor,OtherMutliCpd,Compound,CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl,XCSGPAVHZFQHGE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Anilides,none,none,none,none,none,none
2083,Salbutamol,Drug,Compound,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,NDAUXUAQIAJITI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
2088,alendronate,Drug,Compound,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,OGSPWJRAVKPPFI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphonic acids and derivatives,Bisphosphonates,Bisphosphonates,none,none,none,none,none,none
2092,alfuzosin,Drug,Compound,CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,WNMJYKCGWZFFKR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,Quinazolinamines,none,none,none,none,none
2099,alosetron,Drug,Compound,CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C,JSWZEAMFRNKZNL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,N-alkylindoles,N-alkylindoles,none,none,none,none,none,none
2108,Methyl hexopyranoside,OtherMutliCpd,Compound,COC1C(C(C(C(O1)CO)O)O)O,HOVAGTYPODGVJG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
2117,alpha-tochopheryl acetate,OtherMutliCpd,Compound,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,ZAKOWWREFLAJOT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,none,none,none,none,none,none
2123,Altretamine,Drug,Compound,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,UUVWYPNAQBNQJQ-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Tertiary amines,Tertiary alkylarylamines,Dialkylarylamines,none,none,none,none
2131,Ambenonium,Drug,Compound,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl,OMHBPUNFVFNHJK-UHFFFAOYSA-P,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
2140,Diatrizoic acid,Drug,Compound,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,YVPYQUNUQOZFHG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Halobenzoic acids and derivatives,Halobenzoic acids,none,none,none,none,none
2145,aminoglutethimide,Drug,Compound,CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N,ROBVIMPUHSLWNV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
2148,4-Aminohippuric acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)NCC(=O)O)N,HSMNQINEKMPTIC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
2153,theophylline,Drug,Compound,CN1C2=C(C(=O)N(C1=O)C)NC=N2,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
2154,aminopterin,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N,TVZGACDUOSZQKY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pteroic acids and derivatives,Folic acids and derivatives,Folic acids,none,none,none,none
2156,AC1L1D1O,Drug,Compound,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I,IYIKLHRQXLHMJQ-UHFFFAOYSA-O,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Aryl-phenylketones,none,none,none
2160,amitriptyline,Drug,Compound,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,KRMDCWKBEZIMAB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Dibenzocycloheptenes,none,Dibenzocycloheptenes,none,none,none,none,none,none
2162,amlodipine,Drug,Compound,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,HTIQEAQVCYTUBX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Dihydropyridines,Dihydropyridinecarboxylic acids and derivatives,none,none,none,none,none
2170,amoxapine,Drug,Compound,C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,QWGDMFLQWFTERH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazepines,Dibenzoxazepines,Dibenzoxazepines,none,none,none,none,none,none
2171,"6-{[amino(4-hydroxyphenyl)acetyl]amino}-3	3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",OtherMutliCpd,Compound,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C,LSQZJLSUYDQPKJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Penams,Penicillins,none,none,none,none,none
2179,amsacrine,Drug,Compound,COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42,XCPGHVQEEXUHNC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,none,none,none,none,none,none
2180,amygdalin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O,XUCIJNAGGSZNQT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
2181,3-(piperidin-2-yl)pyridine,OtherMutliCpd,Compound,C1CCNC(C1)C2=CN=CC=C2,MTXSIJUGVMTTMU-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,none,none,Alkaloids and derivatives,none,none,none,none,none,none
2190,AC1L1D4I,OtherMutliCpd,Compound,C1=CN(C2=CC(=C(C(=C21)Cl)O)O)S(=O)(=O)[O-],QNYOMDNEXUQZEF-UHFFFAOYSA-M,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
2214,Acetovanillone,OtherMutliCpd,Compound,CC(=O)C1=CC(=C(C=C1)O)OC,DFYRUELUNQRZTB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
2244,aspirin,Drug,Compound,CC(=O)OC1=CC=CC=C1C(=O)O,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Acylsalicylic acids and derivatives,Acylsalicylic acids,none,none,none
2249,atenolol,Drug,Compound,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,METKIMKYRPQLGS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetamides,Phenylacetamides,none,none,none,none,none,none
2265,azathioprine,Drug,Compound,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],LMEKQMALGUDUQG-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Diarylthioethers,none,none,none,none,none,none
2266,azelaic acid,Drug,Compound,C(CCCC(=O)O)CCCC(=O)O,BDJRBEYXGGNYIS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
2284,baclofen,Drug,Compound,C1=CC(=CC=C1C(CC(=O)O)CN)Cl,KPYSYYIEGFHWSV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
2286,BISPHENOL A DIGLYCIDYL ETHER,OtherMutliCpd,Compound,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,LCFVJGUPQDGYKZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
2331,Benzamide,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)N,KXDAEFPNCMNJSK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,none,none,none,none,none,none
2337,benzocaine,Drug,Compound,CCOC(=O)C1=CC=C(C=C1)N,BLFLLBZGZJTVJG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
2345,BENZYL BENZOATE,OtherMutliCpd,Compound,C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2,SESFRYSPDFLNCH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
2346,benzyl isothiocyanate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CN=C=S,MDKCFLQDBWCQCV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
2349,Cillin,Drug,Compound,CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,JGSARLDLIJGVTE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
2353,berberine,OtherMutliCpd,Compound,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC,YBHILYKTIRIUTE-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Protoberberine alkaloids and derivatives,none,Protoberberine alkaloids and derivatives,none,none,none,none,none,none
2355,Bergapten,OtherMutliCpd,Compound,COC1=C2C=CC(=O)OC2=CC3=C1C=CO3,BGEBZHIAGXMEMV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
2360,Dencichine,OtherMutliCpd,Compound,C(C(C(=O)O)N)NC(=O)C(=O)O,NEEQFPMRODQIKX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
2366,betahistine,Drug,Compound,CNCCC1=CC=CC=N1,UUQMNUMQCIQDMZ-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
2369,betaxolol,Drug,Compound,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,NWIUTZDMDHAVTP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
2370,bethanechol,Drug,Compound,CC(C[N+](C)(C)C)OC(=O)N,NZUPCNDJBJXXRF-UHFFFAOYSA-O,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Tetraalkylammonium salts,none,none,none,none,none,none
2371,Betulic acid,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O,QGJZLNKBHJESQX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
2381,biperiden,Drug,Compound,C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O,YSXKPIUOCJLQIE-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
2391,bisacodyl,Drug,Compound,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,KHOITXIGCFIULA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
2405,BISOPROLOL,Drug,Compound,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,VHYCDWMUTMEGQY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
2435,brimonidine,Drug,Compound,C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br,XYLJNLCSTIOKRM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
2471,bumetanide,Drug,Compound,CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,MAEIEVLCKWDQJH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
2474,bupivacaine,Drug,Compound,CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C,LEBVLXFERQHONN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
2484,butenafine,Drug,Compound,CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32,ABJKWBDEJIDSJZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
2506,IN1379,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(C(CO)NC(=O)C)O,CRJGESKKUOMBCT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
2516,AC1L1DUT,OtherMutliCpd,Compound,CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3,DNJVYWXIDISQRD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
2519,caffeine,Drug,Compound,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,RYYVLZVUVIJVGH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
2520,VERAPAMIL,Drug,Compound,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,SGTNSNPWRIOYBX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
2526,beta-Glycerophosphoric acid,OtherMutliCpd,Compound,C(C(CO)OP(=O)(O)O)O,DHCLVCXQIBBOPH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
2541,candesartan,Drug,Compound,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,HTQMVQVXFRQIKW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
2553,Carbadox-d3,OtherMutliCpd,Compound,COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-],BPMVRAQIQQEBLN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
2554,carbamazepine,Drug,Compound,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,FFGPTBGBLSHEPO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzazepines,Dibenzazepines,Dibenzazepines,none,none,none,none,none,none
2564,carbinoxamine,Drug,Compound,CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,OJFSXZCBGQGRNV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
2566,carbofuran,OtherMutliCpd,Compound,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,DUEPRVBVGDRKAG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Coumarans,none,Coumarans,none,none,none,none,none,none
2572,Spermidic acid,OtherMutliCpd,Compound,C(CC(=O)O)CNCCC(=O)O,SRGQUICKDUQCKO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
2576,carisoprodol,Drug,Compound,CCCC(C)(COC(=O)N)COC(=O)NC(C)C,OFZCIYFFPZCNJE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Carbamic acids and derivatives,Carbamate esters,none,none,none,none
2578,carmustine,Drug,Compound,C(CCl)NC(=O)N(CCCl)N=O,DLGOEMSEDOSKAD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,Ureas,Nitrosoureas,none,none,none,none,none,none
2583,CARTEOLOL,Drug,Compound,CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O,LWAFSWPYPHEXKX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Hydroquinolines,Hydroquinolines,none,none,none,none,none,none
2585,carvedilol,Drug,Compound,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,OGHNVEJMJSYVRP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
2610,Sumacef,Drug,Compound,CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,BOEGTKLJZSQCCD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
2616,AC1L1E2T,OtherMutliCpd,Compound,CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O,UQLLWWBDSUHNEB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,Cephalosporin 3'-esters,none,none,none,none
2682,1-Hexadecanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCO,BXWNKGSJHAJOGX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
2708,chlorambucil,Drug,Compound,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,JCKYGMPEJWAADB-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Nitrogen mustard compounds,Nitrogen mustard compounds,none,none,none,none,none,none
2719,chloroquine,Drug,Compound,CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,WHTVZRBIWZFKQO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Aminoquinolines and derivatives,4-aminoquinolines,none,none,none,none,none,none
2725,chlorpheniramine,OtherMutliCpd,Compound,CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,SOYKEARSMXGVTM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pheniramines,Pheniramines,none,none,none,none,none,none
2732,chlorthalidone,Drug,Compound,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,JIVPVXMEBJLZRO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoindoles and derivatives,Isoindolines,Isoindolones,none,none,none,none,none,none
2733,chlorzoxazone,Drug,Compound,C1=CC2=C(C=C1Cl)NC(=O)O2,TZFWDZFKRBELIQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazoles,Benzoxazolones,Benzoxazolones,none,none,none,none,none,none
2757,CINCHONIDINE,OtherMutliCpd,Compound,C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O,KMPWYEUPVWOPIM-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
2758,Eucalyptol,OtherMutliCpd,Compound,CC1(C2CCC(O1)(CC2)C)C,WEEGYLXZBRQIMU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
2762,cinoxacin,Drug,Compound,CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,VDUWPHTZYNWKRN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Cinnolines,none,none,none,none,none,none
2764,ciprofloxacin,Drug,Compound,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,MYSWGUAQZAJSOK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
2771,citalopram,Drug,Compound,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,WSEQXVZVJXJVFP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
2775,"5	7-Dimethoxycoumarin",OtherMutliCpd,Compound,COC1=CC(=C2C=CC(=O)OC2=C1)OC,NXJCRELRQHZBQA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
2783,clenbuterol,OtherMutliCpd,Compound,CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O,STJMRWALKKWQGH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
2802,Clonazepam,Drug,Compound,C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,DGBIGWXXNGSACT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
2862,Convallaotoxin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O,HULMNSIAKWANQO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
2879,P-CRESOL,OtherMutliCpd,Compound,CC1=CC=C(C=C1)O,IWDCLRJOBJJRNH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
2881,Cromoglycate,Drug,Compound,C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-],IMZMKUWMOSJXDT-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
2895,cyclobenzaprine,Drug,Compound,CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31,JURKNVYFZMSNLP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Dibenzocycloheptenes,none,Dibenzocycloheptenes,none,none,none,none,none,none
2905,cyclopentolate,Drug,Compound,CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O,SKYSRIRYMSLOIN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
2913,CYPROHEPTADINE,Drug,Compound,CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1,JJCFRYNCJDLXIK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Dibenzocycloheptenes,none,Dibenzocycloheptenes,none,none,none,none,none,none
2933,"4-(6-amino-9H-purin-9-yl)-2	3-dihydroxybutanoic acid",OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2CC(C(C(=O)O)O)O,LIEMBEWXEZJEEZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
2950,danthron,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,QBPFLULOKWLNNW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
2969,Decanoic acid,OtherMutliCpd,Compound,CCCCCCCCCC(=O)O,GHVNFZFCNZKVNT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
2973,deferoxamine,Drug,Compound,CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O,UBQYURCVBFRUQT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Primary carboxylic acid amides,Hydroxamic acids,Acetohydroxamic acids,none,none,none
2995,desipramine,Drug,Compound,CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31,HCYAFALTSJYZDH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzazepines,Dibenzazepines,Dibenzazepines,none,none,none,none,none,none
2997,Nordiazepam,OtherMutliCpd,Compound,C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3,AKPLHCDWDRPJGD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
2998,NONIVAMIDE,OtherMutliCpd,Compound,CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,RGOVYLWUIBMPGK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
3009,EFLORNITHINE,Drug,Compound,C(CC(C(F)F)(C(=O)O)N)CN,VLCYCQAOQCDTCN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
3016,diazepam,Drug,Compound,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,AAOVKJBEBIDNHE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
3026,dibutyl phthalate,OtherMutliCpd,Compound,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,DOIRQSBPFJWKBE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
3032,"{2-[(2	6-dichlorophenyl)amino]phenyl}acetate",Drug,Compound,C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl,DCOPUUMXTXDBNB-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
3033,diclofenac,Drug,Compound,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,DCOPUUMXTXDBNB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
3036,Clofenotane,OtherMutliCpd,Compound,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,YVGGHNCTFXOJCH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3051,diethyl pyrocarbonate,OtherMutliCpd,Compound,CCOC(=O)OC(=O)OCC,FFYPMLJYZAEMQB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,none,Organic carbonic acids and derivatives,none,none,none,none,none,none
3059,diflunisal,Drug,Compound,C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O,HUPFGZXOMWLGNK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
3092,dinitolmide,OtherMutliCpd,Compound,CC1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-],ZEFNOZRLAWVAQF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Nitrotoluenes,Dinitrotoluenes,none,none,none,none,none
3100,diphenhydramine,Drug,Compound,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,ZZVUWRFHKOJYTH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3102,BENZOPHENONE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2,RWCCWEUUXYIKHB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
3105,dipivefrin,Drug,Compound,CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C,OCUJLLGVOUDECM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
3108,dipyridamole,Drug,Compound,C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,IZEKFCXSFNUWAM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Tertiary amines,Tertiary alkylarylamines,Dialkylarylamines,none,none,none,none
3114,disopyramide,Drug,Compound,CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C,UVTNFZQICZKOEM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pheniramines,Pheniramines,none,none,none,none,none,none
3121,VALPROIC ACID,Drug,Compound,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
3124,6-methyltetrahydropterin,OtherMutliCpd,Compound,CC1CNC2=C(N1)C(=O)N=C(N2)N,HWOZEJJVUCALGB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pterins and derivatives,none,none,none,none,none,none
3134,6-dimethylaminopurine,OtherMutliCpd,Compound,CN(C)C1=NC=NC2=C1NC=N2,BVIAOQMSVZHOJM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
3148,dolasetron,Drug,Compound,C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54,UKTAZPQNNNJVKR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids and derivatives,none,none,none,none,none,none
3152,donepezil,Drug,Compound,COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,ADEBPBSSDYVVLD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Benzylpiperidines,N-benzylpiperidines,none,none,none,none,none,none
3156,doxapram,Drug,Compound,CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,XFDJYSQDBULQSI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3157,doxazosin,Drug,Compound,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,RUZYUOTYCVRMRZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,N-arylpiperazines,none,none,none,none,none,none
3162,doxylamine,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C,HCFDWZZGGLSKEP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
3168,droperidol,Drug,Compound,C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,RMEDXOLNCUSCGS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
3182,dyphylline,Drug,Compound,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O,KSCFJBIXMNOVSH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
3213,ellipticine,OtherMutliCpd,Compound,CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2,CTSPAMFJBXKSOY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
3219,emedastine,Drug,Compound,CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C,KBUZBQVCBVDWKX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
3220,emodin,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,RHMXXJGYXNZAPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
3232,AC1L1FGZ,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4=O)(C)C(=O)O,WQBNGXOJBVBQKP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
3239,EPIBRASSINOLIDE,OtherMutliCpd,Compound,CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O,IXVMHGVQKLDRKH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Brassinolides and derivatives,none,none,none,none,none,none
3259,Erythrosin B,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I,OALHHIHQOFIMEF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
3278,ETHACRYNIC ACID,Drug,Compound,CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl,AVOLMBLBETYQHX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Chlorophenoxyacetates,none,none,none,none,none,none
3292,ethotoin,Drug,Compound,CCN1C(=O)C(NC1=O)C2=CC=CC=C2,SZQIFWWUIBRPBZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,Phenylhydantoins,none,none,none
3293,ethoxyquin,OtherMutliCpd,Compound,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,DECIPOUIJURFOJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
3301,ethylenediamine,OtherMutliCpd,Compound,C(CN)N,PIICEJLVQHRZGT-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
3308,etodolac,Drug,Compound,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,NNYBQONXHNTVIJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
3314,eugenol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC=C)O,RRAFCDWBNXTKKO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
3324,famciclovir,Drug,Compound,CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C,GGXKWVWZWMLJEH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purines and purine derivatives,none,none,none,none,none,none
3331,felbamate,Drug,Compound,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,WKGXYQFOCVYPAC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
3333,felodipine,Drug,Compound,CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,RZTAMFZIAATZDJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Dihydropyridines,Dihydropyridinecarboxylic acids and derivatives,none,none,none,none,none
3339,fenofibrate,Drug,Compound,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,YMTINGFKWWXKFG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
3340,AC1L1FPN,Drug,Compound,C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O,TVURRHSHRRELCG-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Benzazepines,none,Benzazepines,none,none,none,none,none,none
3342,fenoprofen,Drug,Compound,CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O,RDJGLLICXDHJDY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
3345,fentanyl,Drug,Compound,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,PJMPHNIQZUBGLI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Fentanyls,Fentanyls,none,none,none,none,none,none
3346,fenthion,OtherMutliCpd,Compound,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,PNVJTZOFSHSLTO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic thiophosphoric acids and derivatives,Thiophosphoric acid esters,Aryl thiophosphates,Phenyl thiophosphates,none,none,none,none,none
3347,fenvalerate,OtherMutliCpd,Compound,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,NYPJDWWKZLNGGM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Pyrethroids,none,none,none,none,none,none
3348,fexofenadine,Drug,Compound,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,RWTNPBWLLIMQHL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3354,flavoxate,Drug,Compound,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,SPIUTQOUKAMGCX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
3355,AC1L1FQW,Drug,Compound,C1CCNC(C1)C[NH2+]C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,DJBNUMBKLMJRSA-UHFFFAOYSA-O,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
3360,Floctafenine,Drug,Compound,C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F,APQPGQGAWABJLN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Aminoquinolines and derivatives,4-aminoquinolines,none,none,none,none,none,none
3365,fluconazole,Drug,Compound,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,RFHAOTPXVQNOHP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Fluorobenzenes,none,none,none,none,none,none
3373,flumazenil,Drug,Compound,CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C,OFBIFZUFASYYRE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,Imidazo[1--5-a][1--4]benzodiazepines,none,none,none,none,none,none
3385,5-Fluorouracil,Drug,Compound,C1=C(C(=O)NC(=O)N1)F,GHASVSINZRGABV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Halopyrimidines,none,none,none,none,none,none
3386,fluoxetine,Drug,Compound,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,RTHCYVBBDHJXIQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Trifluoromethylbenzenes,Trifluoromethylbenzenes,none,none,none,none,none,none
3393,flurazepam,Drug,Compound,CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F,SAADBVWGJQAEFS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
3394,flurbiprofen,Drug,Compound,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,SYTBZMRGLBWNTM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
3397,flutamide,Drug,Compound,CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F,MKXKFYHWDHIYRV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Trifluoromethylbenzenes,Trifluoromethylbenzenes,none,none,none,none,none,none
3410,formoterol,Drug,Compound,CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,BPZSYCZIITTYBL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
3413,AC1L1FVN,OtherMutliCpd,Compound,CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O,OHCQJHSOBUTRHG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3429,L-Fucitol,OtherMutliCpd,Compound,CC(C(C(C(CO)O)O)O)O,SKCKOFZKJLZSFA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
3432,fumonisin b2,OtherMutliCpd,Compound,CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,UXDPXZQHTDAXOZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Fumonisins,Fumonisins,none,none,none,none,none,none
3440,furosemide,Drug,Compound,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,ZZUFCTLCJUWOSV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Aminobenzenesulfonamides,none,none,none,none,none,none
3454,ganciclovir,Drug,Compound,C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N,IRSCQMHQWWYFCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,Hypoxanthines,none,none,none,none,none
3463,gemfibrozil,Drug,Compound,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,HEMJJKBWTPKOJG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
3469,"2	5-DIHYDROXYBENZOIC ACID",OtherMutliCpd,Compound,C1=CC(=C(C=C1O)C(=O)O)O,WXTMDXOMEHJXQO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
3473,gingerol,OtherMutliCpd,Compound,CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,NLDDIKRKFXEWBK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerols,none,none,none,none,none,none
3478,glipizide,Drug,Compound,CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,ZJJXGWJIGJFDTL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
3485,glutaraldehyde,OtherMutliCpd,Compound,C(CC=O)CC=O,SXRSQZLOMIGNAQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
3488,glyburide,Drug,Compound,COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,ZNNLBTZKUZBEKO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
3494,Glycopyrronium,Drug,Compound,C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C,ANGKOCUUWGHLCE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
3495,glycyrrhizin,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C,LPLVUJXQOOQHMX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3503,gossypol,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C,QBKSWRVVCFFDOT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3510,granisetron,Drug,Compound,CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,MFWNKCLOYSRHCJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrazoles,Indazoles,Indazole-3-carboxamides,none,none,none,none,none,none
3511,Andromedol,OtherMutliCpd,Compound,CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C,BWMFRQKICHXLSH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Grayanoids,Leucothol and grayanotoxane diterpenoids,none,none,none,none,none
3515,guaiazulene,OtherMutliCpd,Compound,CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C,FWKQNCXZGNBPFD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
3516,guaifenesin,Drug,Compound,COC1=CC=CC=C1OCC(CO)O,HSRJKNPTNIJEKV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
3519,GUANFACINE,Drug,Compound,C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl,INJOMKTZOLKMBF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
3559,haloperidol,Drug,Compound,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F,LNEPOXFFQSENCJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
3573,Hocogenin,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1,QOLRLLFJMZLYQJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3593,hesperetine,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O,AIONOLUJZLIMTK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
3598,hexachlorophene,Drug,Compound,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,ACGUYXCXAPNIKK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3610,4-Hexylresorcinol,OtherMutliCpd,Compound,CCCCCCC1=C(C=C(C=C1)O)O,WFJIVOKAWHGMBH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
3634,hycanthone,OtherMutliCpd,Compound,CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O,MFZWMTSUNYWVBU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thiochromenes,none,Thiochromenes,none,none,none,none,none,none
3650,37103-91-6,OtherMutliCpd,Compound,C1(C(NC(=O)NC1=O)O)F,AWONXBGDFDRWRH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,Barbituric acid derivatives,none,none,none,none,none
3652,hydroxychloroquine,Drug,Compound,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,XXSMGPRMXLTPCZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Aminoquinolines and derivatives,4-aminoquinolines,none,none,none,none,none,none
3656,4-Hydroxytolbutamide,OtherMutliCpd,Compound,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CO,SJRHYONYKZIRPM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
3672,ibuprofen,Drug,Compound,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,HEFNNWSXXWATRW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
3675,Phenelzine,Drug,Compound,C1=CC=C(C=C1)CCNN,RMUCZJUITONUFY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
3676,lidocaine,Drug,Compound,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,NNJVILVZKWQKPM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Xylenes,m-Xylenes,none,none,none,none,none,none
3696,imipramine,Drug,Compound,CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31,BCGWQEUPMDMJNV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzazepines,Dibenzazepines,Dibenzazepines,none,none,none,none,none,none
3698,Amrinone,Drug,Compound,C1=CN=CC=C1C2=CNC(=O)C(=C2)N,RNLQIBCLLYYYFJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Bipyridines and oligopyridines,Bipyridines and oligopyridines,none,none,none,none,none,none
3702,indapamide,Drug,Compound,CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N,NDDAHWYSQHTHNT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
3712,Indole-3-carbinol,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CO,IVYPNXXAYMYVSP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
3715,indomethacin,Drug,Compound,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,CGIGDMFJXJATDK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Benzoylindoles,Benzoylindoles,none,none,none,none,none,none
3724,iodixanol,Drug,Compound,CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,NBQNWMBBSKPBAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
3736,iopromide,Drug,Compound,CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I,DGAIEPBNLOQYER-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Halobenzoic acids and derivatives,4-halobenzoic acids and derivatives,none,none,none,none,none
3737,iotalamic acid,Drug,Compound,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I,UXIGWFXRQKWHHA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
3741,ioversol,Drug,Compound,C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO,AMDBBAQNWSUWGN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
3744,3-Indolepropionic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CCC(=O)O,GOLXRNDWAUTYKT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
3745,2-phenyl-7-(propan-2-yloxy)-4h-chromen-4-one,OtherMutliCpd,Compound,CC(C)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3,YVLFFUSZFGCFFW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
3746,ipratropium,Drug,Compound,CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C,OEXHQOGQTVQTAT-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Tropane alkaloids,none,Tropane alkaloids,none,none,none,none,none,none
3747,ipriflavone,OtherMutliCpd,Compound,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3,SFBODOKJTYAUCM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
3759,isocarboxazid,Drug,Compound,CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2,XKFPYPQQHFEXRZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
3764,isoformononetin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O,LNIQZRIHAMVRJA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
3767,isoniazid,Drug,Compound,C1=CN=CC=C1C(=O)NN,QRXWMOHMRWLFEY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids and derivatives,none,none,none,none,none,none
3776,isopropanol,OtherMutliCpd,Compound,CC(C)O,KFZMGEQAYNKOFK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
3779,isoproterenol,Drug,Compound,CC(C)NCC(C1=CC(=C(C=C1)O)O)O,JWZZKOKVBUJMES-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
3783,isoxsuprine,Drug,Compound,CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,BMUKKTUHUDJSNZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
3806,juglone,OtherMutliCpd,Compound,C1=CC2=C(C(=O)C=CC2=O)C(=C1)O,KQPYUDDGWXQXHS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
3821,ketamine,Drug,Compound,CNC1(CCCCC1=O)C2=CC=CC=C2Cl,YQEZLKZALYSWHR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,none,none,none,none,none,none
3825,ketoprofen,Drug,Compound,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,DKYWVDODHFEZIM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
3826,ketorolac,Drug,Compound,C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O,OZWKMVRBQXNZKK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Aryl-phenylketones,none,none,none
3827,ketotifen,Drug,Compound,CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1,ZCVMWBYGMWKGHF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Cycloheptathiophenes,none,Cycloheptathiophenes,none,none,none,none,none,none
3830,kinetin,OtherMutliCpd,Compound,C1=COC(=C1)CNC2=NC=NC3=C2NC=N3,QANMHLXAZMSUEX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
3845,kynurenic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O,HCZHHEIFKROPDY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
3857,Phosphonoalanine,OtherMutliCpd,Compound,C(C(C(=O)O)N)P(=O)(O)O,LBTABPSJONFLPO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
3866,2-Amino-2-phenylacetic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C(=O)O)N,ZGUNAGUHMKGQNY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
3869,labetalol,Drug,Compound,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,SGUAFYQXFOLMHL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylamides,none,none,none,none
3871,LACTITOL ANHYDROUS,OtherMutliCpd,Compound,C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O,VQHSOMBJVWLPSR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
3879,lanatoside C,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O,JAYAGJDXJIDEKI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3883,lansoprazole,Drug,Compound,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,MJIHNNLFOKEZEW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
3893,lauric acid,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)O,POULHZVOKOAJMA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
3899,leflunomide,Drug,Compound,CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F,VHOGYURTWQBHIL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,none,none,none,none,none,none
3911,Enantone (TN),Drug,Compound,CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,GFIJNRVAKGFPGQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
3917,Methylnoradrenaline,OtherMutliCpd,Compound,CC(C(C1=CC(=C(C=C1)O)O)O)N,GEFQWZLICWMTKF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
3948,lomefloxacin,Drug,Compound,CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O,ZEKZLJVOYLTDKK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
3954,loperamide cation,Drug,Compound,CN(C)C(=O)C(CC[NH+]1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,RDOIQAHITMMDAJ-UHFFFAOYSA-O,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3955,loperamide,OtherMutliCpd,Compound,CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,RDOIQAHITMMDAJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
3957,loratadine,Drug,Compound,CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1,JCCNYMKQOSZNPW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzocycloheptapyridines,none,Benzocycloheptapyridines,none,none,none,none,none,none
3958,lorazepam,Drug,Compound,C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,DIWRORZWFLOCLC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
3998,mafenide,Drug,Compound,C1=CC(=CC=C1CN)S(=O)(=O)N,TYMRLRRVMHJFTF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
4005,MALFORMIN A,OtherMutliCpd,Compound,CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O,RNCGDQLZIATDOU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
4044,mefenamic acid,Drug,Compound,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,HYYBABOKPJLUIN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
4057,mepenzolate,Drug,Compound,C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,GKNPSSNBBWDAGH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
4058,meperidine,Drug,Compound,CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,XADCESSVHJOZHK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Phenylpiperidines,Phenylpiperidines,none,none,none,none,none,none
4060,MEPHENYTOIN,Drug,Compound,CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,GMHKMTDVRCWUDX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,Phenylhydantoins,none,none,none
4062,mepivacaine,Drug,Compound,CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C,INWLQCZOYSRPNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Piperidinecarboxylic acids and derivatives,Piperidinecarboxamides,none,none,none,none,none,none
4075,5-Aminosalicylic acid,Drug,Compound,C1=CC(=C(C=C1N)C(=O)O)O,KBOPZPXVLCULAV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
4086,metaproterenol,Drug,Compound,CC(C)NCC(C1=CC(=CC(=C1)O)O)O,LMOINURANNBYCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
4091,Metformin,Drug,Compound,CN(C)C(=N)N=C(N)N,XZWYZXLIPXDOLR-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Guanidines,Biguanides,none,none,none,none,none,none
4093,METHACRYLIC ACID,OtherMutliCpd,Compound,CC(=C)C(=O)O,CERQOIWHTDAKMF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
4095,methadone,Drug,Compound,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,USSIQXCVUWKGNF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
4107,methocarbamol,Drug,Compound,COC1=CC=CC=C1OCC(COC(=O)N)O,GNXFOGHNGIVQEH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
4112,Amethopterin,Drug,Compound,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,FBOZXECLQNJBKD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pteroic acids and derivatives,Folic acids and derivatives,Folic acids,none,none,none,none
4114,methoxsalen,Drug,Compound,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,QXKHYNVANLEOEG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,8-methoxypsoralens,none,none,none,none
4120,Methylscopolamine,Drug,Compound,C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C,LZCOQTDXKCNBEE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
4133,methyl salicylate,OtherMutliCpd,Compound,COC(=O)C1=CC=CC=C1O,OSWPMRLSEDHDFF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
4158,methylphenidate,Drug,Compound,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,DUGOZIWVEXMGBE-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
4168,metoclopramide,Drug,Compound,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,TTWJBBZEZQICBI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Aminophenyl ethers,Aminophenyl ethers,none,none,none,none,none,none
4170,metolazone,Drug,Compound,CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl,AQCHWTWZEMGIFD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
4171,metoprolol,Drug,Compound,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,IUBSYMUCCVWXPE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
4178,Mexiletine,Drug,Compound,CC1=C(C(=CC=C1)C)OCC(C)N,VLPIATFUUWWMKC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
4183,MOPEG sulfate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(CO)O)OS(=O)(=O)O,WUFPNASKMLJSND-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
4192,midazolam,Drug,Compound,CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,DDLIGBOFAVUZHB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,Imidazo[1--5-a][1--4]benzodiazepines,none,none,none,none,none,none
4195,midodrine,Drug,Compound,COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O,PTKSEFOSCHHMPD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
4197,milrinone,Drug,Compound,CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2,PZRHRDRVRGEVNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Bipyridines and oligopyridines,Bipyridines and oligopyridines,none,none,none,none,none,none
4204,"17-hydroxyoctadeca-9	11	13	15-tetraynoic acid",OtherMutliCpd,Compound,CC(C#CC#CC#CC#CCCCCCCCC(=O)O)O,MTWGWIOCIREVRF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
4205,mirtazapine,Drug,Compound,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,RONZAEMNMFQXRA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperazinoazepines,none,Piperazinoazepines,none,none,none,none,none,none
4211,mitotane,Drug,Compound,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,JWBOIMRXGHLCPP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
4212,mitoxantrone,Drug,Compound,C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO,KKZJGLLVHKMTCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
4236,modafinil,Drug,Compound,C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N,YFGHCGITMMYXAQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
4271,mycophenolateÊmofetil,Drug,Compound,CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC,RTGDFNSFWBGLEC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Phthalides,none,none,none,none,none,none
4276,Myristicin,OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)CC=C,BNWJOHGLIBDBOB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
4382,epinine,OtherMutliCpd,Compound,CNCCC1=CC(=C(C=C1)O)O,NGKZFDYBISXGGS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,Catecholamines and derivatives,none,none,none,none,none
4409,nabumetone,Drug,Compound,CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC,BLXXJMDCKKHMKV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
4421,nalidixic acid,Drug,Compound,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,MHWLWQUZZRMNGJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Naphthyridines,Naphthyridine carboxylic acids and derivatives,none,none,none,none,none,none
4440,naratriptan,Drug,Compound,CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C,AMKVXSZCKVJAGH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
4453,"1-(4-{[4	5-dihydroxy-6-(hydroxymethyl)-3-[(3	4	5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2	6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one",OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O,ITVGXXMINPYUHD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
4456,NEOSTIGMINE,Drug,Compound,CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,ALWKGYPQUAPLQC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxy compounds,Phenoxy compounds,none,none,none,none,none,none
4463,nevirapine,Drug,Compound,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,NQDJXKOVJZTUJA-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Tertiary amines,Tertiary alkylarylamines,Alkyldiarylamines,none,none,none,none
4473,AC1L1I8V,Drug,Compound,CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC,ZBBHBTPTTSWHBA-UHFFFAOYSA-O,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrobenzenes,none,none,none,none,none,none
4485,nifedipine,Drug,Compound,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,HYIMSNHJOBLJNT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Dihydropyridines,Dihydropyridinecarboxylic acids and derivatives,none,none,none,none,none
4493,nilutamide,Drug,Compound,CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C,XWXYUMMDTVBTOU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,Phenylhydantoins,none,none,none
4497,nimodipine,Drug,Compound,CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC,UIAGMCDKSXEBJQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Dihydropyridines,Dihydropyridinecarboxylic acids and derivatives,none,none,none,none,none
4499,nisoldipine,Drug,Compound,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,VKQFCGNPDRICFG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Dihydropyridines,Dihydropyridinecarboxylic acids and derivatives,none,none,none,none,none
4539,norfloxacin,Drug,Compound,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,OGJPXUAPXNRGGI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
4543,nortriptyline,Drug,Compound,CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,PHVGLTMQBUFIQQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Dibenzocycloheptenes,none,Dibenzocycloheptenes,none,none,none,none,none,none
4544,Gnoscopine,OtherMutliCpd,Compound,CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3,AKNNEGZIBPJZJG-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Phthalide isoquinolines,none,Phthalide isoquinolines,none,none,none,none,none,none
4583,ofloxacin,Drug,Compound,CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,GSDSWSVVBLHKDQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
4592,olomoucine,OtherMutliCpd,Compound,CN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO,GTVPOLSIJWJJNY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
4594,omeprazole,Drug,Compound,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,SUBDBMMJDZJVOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
4595,ondansetron,Drug,Compound,CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C,FELGMEQIXOGIFQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
4601,orphenadrine,Drug,Compound,CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C,QVYRGXJJSLMXQH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
4614,oxaprozin,Drug,Compound,C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3,OFPXSFXSNFPTHF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Oxazoles,Phenyl-1--3-oxazoles,none,none,none,none,none,none
4616,oxazepam,Drug,Compound,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,ADIMAYPTOBDMTL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
4621,Oxethazaine,OtherMutliCpd,Compound,CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2,FTLDJPRFCGDUFH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
4624,oxidopamine,OtherMutliCpd,Compound,C1=C(C(=CC(=C1O)O)O)CCN,DIVDFFZHCJEHGG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,Catecholamines and derivatives,none,none,none,none,none
4634,oxybutynin,Drug,Compound,CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O,XIQVNETUBQGFHX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
4649,4-Aminosalicylic acid,Drug,Compound,C1=CC(=C(C=C1N)O)C(=O)O,WUBBRNOQWQTFEX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Aminosalicylic acids and derivatives,Aminosalicylic acids,none,none,none
4671,Palmitoylethanolamide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NCCO,HXYVTAGFYLMHSO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
4673,57248-88-1,Drug,Compound,C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+],CEYUIFJWVHOCPP-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Organic phosphonic acids and derivatives,Bisphosphonates,Bisphosphonates,none,none,none,none,none,none
4678,DL-Panthenol,OtherMutliCpd,Compound,CC(C)(CO)C(C(=O)NCCCO)O,SNPLKNRPJHDVJA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,N-acyl amines,none,none,none,none,none,none
4679,pantoprazole,Drug,Compound,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,IQPSEEYGBUAQFF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
4680,papaverine,Drug,Compound,COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC,XQYZDYMELSJDRZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
4687,paraxanthine,OtherMutliCpd,Compound,CN1C=NC2=C1C(=O)N(C(=O)N2)C,QUNWUDVFRNGTCO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
4697,"4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b	12c-dimethyl-5	6	6a	7	12	12b	12c	13	14	14a-decahydro-2H-chromeno[5'	6':6	7]indeno[1	2-b]indol-3(4bH)-one",OtherMutliCpd,Compound,CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O,ACNHBCIZLNNLRS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
4723,pemoline,Drug,Compound,C1=CC=C(C=C1)C2C(=O)N=C(O2)N,NRNCYVBFPDDJNE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
4725,penciclovir,Drug,Compound,C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N,JNTOCHDNEULJHD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,Hypoxanthines,none,none,none,none,none
4735,pentamidine,Drug,Compound,C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N,XDRYMKDFEDOLFX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
4740,pentoxifylline,Drug,Compound,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,BYPFEZZEUUWMEJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
4754,Phenacetin,Drug,Compound,CCOC1=CC=C(C=C1)NC(=O)C,CPJSUEIXXCENMM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Acetanilides,none,none,none,none,none,none
4756,phenazopyridine,Drug,Compound,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N,QPFYXYFORQJZEC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Aminopyridines and derivatives,Aminopyridines and derivatives,none,none,none,none,none,none
4763,phenobarbital,Drug,Compound,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,DDBREPKUVSBGFI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,Barbituric acid derivatives,none,none,none,none,none
4768,phenoxybenzamine,Drug,Compound,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2,QZVCTJOXCFMACW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
4771,phentermine,Drug,Compound,CC(C)(CC1=CC=CC=C1)N,DHHVAGZRUROJKS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
4775,4-PHENYLBUTYRIC ACID,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCC(=O)O,OBKXEAXTFZPCHS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
4788,phloretin,OtherMutliCpd,Compound,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O,VGEREEWJJVICBM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
4825,pimpinellin,OtherMutliCpd,Compound,COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC,BQPRWZCEKZLBHL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
4828,pindolol,Drug,Compound,CC(C)NCC(COC1=CC=CC2=C1C=CN2)O,JZQKKSLKJUAGIC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
4829,Pioglitazone,Drug,Compound,CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,HYAFETHFCAUJAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
4845,PIRBUTEROL,Drug,Compound,CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O,VQDBNKDJNJQRDG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydroxypyridines,Hydroxypyridines,none,none,none,none,none,none
4891,praziquantel,Drug,Compound,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,FSVJFNAIGNNGKK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
4893,prazosin,Drug,Compound,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC,IENZQIKPVFGBNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,N-arylpiperazines,none,none,none,none,none,none
4908,PRIMAQUINE,Drug,Compound,CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2,INDBQLZJXZLFIT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Aminoquinolines and derivatives,Aminoquinolines and derivatives,none,none,none,none,none,none
4909,primidone,Drug,Compound,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,DQMZLTXERSFNPB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Hydropyrimidines,none,none,none,none,none,none
4910,proadifen,OtherMutliCpd,Compound,CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC,SNTQPLDRUZOSDP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
4911,probenecid,Drug,Compound,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,DBABZHXKTCFAPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
4913,PROCAINAMIDE,Drug,Compound,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N,REQCZEXYDRLIBE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzamides,none,none,none,none,none
4914,procaine,Drug,Compound,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N,MFDFERRIHVXMIY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
4915,procarbazine,Drug,Compound,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,CPTBDICYNRMXFX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,none,none,none,none,none,none
4920,STK374710,OtherMutliCpd,Compound,CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,RJKFOVLPORLFTN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
4932,propafenone,Drug,Compound,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,JWHAUXFOSRPERK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,none,Linear 1--3-diarylpropanoids,none,none,none,none,none,none
4934,propantheline,Drug,Compound,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C,VVWYOYDLCMFIEM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
4935,proparacaine,Drug,Compound,CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N,KCLANYCVBBTKTO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
4943,propofol,Drug,Compound,CC(C)C1=C(C(=CC=C1)C(C)C)O,OLBCVFGFOZPWHH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
4946,propranolol,Drug,Compound,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,AQHHHDLHHXJYJD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
4947,propyl gallate,OtherMutliCpd,Compound,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,ZTHYODDOHIVTJV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
4970,protopine,OtherMutliCpd,Compound,CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3,GPTFURBXHJWNHR-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Protopine alkaloids,none,Protopine alkaloids,none,none,none,none,none,none
4971,protoporphyrin IX,OtherMutliCpd,Compound,CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C,ZCFFYALKHPIRKJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
4976,protriptyline,Drug,Compound,CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13,BWPIARFWQZKAIA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Dibenzocycloheptenes,none,Dibenzocycloheptenes,none,none,none,none,none,none
4991,pyridostigmine,Drug,Compound,C[N+]1=CC=CC(=C1)OC(=O)N(C)C,RVOLLAQWKVFTGE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,N-methylpyridinium compounds,none,none,none,none,none,none
5029,rabeprazole,Drug,Compound,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC,YREYEVIYCVEVJK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
5035,raloxifene,Drug,Compound,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O,GZUITABIAKMVPG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Aryl-phenylketones,none,none,none
5054,resorcinol,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)O,GHMLBKRAJCXXBS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
5070,riluzole,Drug,Compound,C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N,FTALBRSUTCGOEG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
5073,risperidone,Drug,Compound,CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,RAPZEAPATHNIPO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridopyrimidines,none,Pyridopyrimidines,none,none,none,none,none,none
5078,rizatriptan,Drug,Compound,CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3,ULFRLSNUDGIQQP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
5090,rofecoxib,Drug,Compound,CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3,RZJQGNCSTQAWON-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5104,roxarsone,OtherMutliCpd,Compound,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,XMVJITFPVVRMHC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Nitrophenols,Nitrophenols,none,none,none,none,none,none
5115,4-carboxyphenylglycine,OtherMutliCpd,Compound,C1=CC(=CC=C1C(C(=O)O)N)C(=O)O,VTMJKPGFERYGJF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
5143,saccharin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,CVHZOJJKTDOEJC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
5152,Salmeterol,Drug,Compound,C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,GIIZNNXWQWCKIB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
5154,SANGUINARINE,OtherMutliCpd,Compound,C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6,INVGWHRKADIJHF-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Benzophenanthridine alkaloids,Quaternary benzophenanthridine alkaloids,Quaternary benzophenanthridine alkaloids,none,none,none,none,none,none
5161,Salsalate,Drug,Compound,C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O,WVYADZUPLLSGPU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
5184,scopolamine,OtherMutliCpd,Compound,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4,STECJAGHUSJQJN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
5192,sebacic acid,OtherMutliCpd,Compound,C(CCCCC(=O)O)CCCC(=O)O,CXMXRPHRNRROMY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5202,serotonin,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=CN2)CCN,QZAYGJVTTNCVMB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,none,none,none,none,none,none
5204,Asarinin,OtherMutliCpd,Compound,C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6,PEYUIKBAABKQKQ-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
5208,shikonin,OtherMutliCpd,Compound,CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C,NEZONWMXZKDMKF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
5209,Mukoenine A,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C3=CC=CC=C3N2)CC=C(C)C)O,PURITTXNCHNYEP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5210,sibutramine,Drug,Compound,CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C,UNAANXDKBXWMLN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,none,none,none,none,none,none
5212,sildenafil,Drug,Compound,CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,BNRNXUUZRGQAQC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
5213,Silybin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,SEBFKMXJBCUCAI-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Flavonolignans,none,Flavonolignans,none,none,none,none,none,none
5214,Silvadene,Drug,Compound,C1=CN=C(N=C1)[NH2+]S(=[OH+])(=O)C2=CC=C(C=C2)N.[Ag+],GOYDASFKHSBSBH-UHFFFAOYSA-P,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
5215,sulfadiazine,Drug,Compound,C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,SEEPANYCNGTZFQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Aminobenzenesulfonamides,none,none,none,none,none,none
5245,Risedronate,Drug,Compound,C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,IIDJRNMFWXDHID-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphonic acids and derivatives,Bisphosphonates,Bisphosphonates,none,none,none,none,none,none
5246,sodium taurocholate,OtherMutliCpd,Compound,CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+],JAJWGJBVLPIOOH-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
5250,Spirosol-5-en-3-ol,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1,KWVISVAMQJWJSZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Spirosolanes and derivatives,none,none,none,none,none,none
5253,sotalol,Drug,Compound,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,ZBMZVLHSJCTVON-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Sulfanilides,Sulfanilides,none,none,none,none,none,none
5255,n-acetyl-a-aspartylglutamic acid,OtherMutliCpd,Compound,CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O,OPVPGKGADVGKTG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5281,stearic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O,QIQXTHQIDYTFRH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5291,Imatinib,Drug,Compound,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,KTUFNOKKBVMGRW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,Benzanilides,none,none,none,none,none
5312,"4	6-DIOXOHEPTANOIC ACID",OtherMutliCpd,Compound,CC(=O)CC(=O)CCC(=O)O,WYEPBHZLDUPIOD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
5320,sulfacetamide,Drug,Compound,CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,SKIVFJLNDNKQPD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Aminobenzenesulfonamides,none,none,none,none,none,none
5338,sulfaquinoxaline,OtherMutliCpd,Compound,C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N,NHZLNPMOSADWGC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
5339,Sulfasalazine,Drug,Compound,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,none,none,none,none,none,none,none,none,none,none,none,none
5344,sulfisoxazole,Drug,Compound,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,NHUHCSRWZMLRLA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Aminobenzenesulfonamides,none,none,none,none,none,none
5358,sumatriptan,Drug,Compound,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,KQKPFRSPSRPDEB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
5359,suprofen,Drug,Compound,CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O,MDKGKXOCJGEUJW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Aryl-phenylketones,none,none,none
5379,Gatifloxacin,Drug,Compound,CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F,XUBOMFCQGDBHNK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
5381,tazarotene,Drug,Compound,CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C,OGQICQVSFDPSEI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
5391,temazepam,Drug,Compound,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,SEQDDYPDSLOBDC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
5401,terazosin,Drug,Compound,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC,VCKUSRYTPJJLNI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,N-arylpiperazines,none,none,none,none,none,none
5403,terbutaline,Drug,Compound,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,XWTYSIMOBUGWOL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
5411,tetracaine,Drug,Compound,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,GKCBAIGFKIBETG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
5426,thalidomide,Drug,Compound,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,UEJJHQNACJXSKW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoindoles and derivatives,Isoindolines,Isoindolones,Phthalimides,none,none,none,none,none
5508,[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate,Drug,Compound,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-],UPSPUYADGBWSHF-UHFFFAOYSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Aryl-phenylketones,none,none,none
5510,tolnaftate,OtherMutliCpd,Compound,CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2,FUSNMLFNXJSCDI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
5513,Tomatine,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1,REJLGAUYTKNVJM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
5526,tranexamic acid,Drug,Compound,C1CC(CCC1CN)C(=O)O,GYDJEQRTZSCIOI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Amino acids,none,none,none,none,none
5529,Zeatin riboside,OtherMutliCpd,Compound,CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)CO,GOSWTRUMMSCNCW-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
5541,triacetin,OtherMutliCpd,Compound,CC(=O)OCC(COC(=O)C)OC(=O)C,URAYPUMNDPQOKB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
5570,Trigonelline,OtherMutliCpd,Compound,C[N+]1=CC=CC(=C1)C(=O)[O-],WWNNZCOKKKDOPX-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,none,none,Alkaloids and derivatives,none,none,none,none,none,none
5572,trihexyphenidyl,Drug,Compound,C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O,HWHLPVGTWGOCJO-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
5578,trimethoprim,Drug,Compound,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,IEDVJHCEMCRBQM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
5582,AC1L1KO2,Drug,Compound,CC1=C(C=CC2=C1C(=[NH+]C(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC,NOYPYLRCIDNJJB-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,Quinazolinamines,none,none,none,none,none
5591,troglitazone,Drug,Compound,CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O,GXPHKUHSUJUWKP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
5593,tropicamide,Drug,Compound,CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2,BGDKAVGWHJFAGW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetamides,Phenylacetamides,none,none,none,none,none,none
5610,tyramine,OtherMutliCpd,Compound,C1=CC(=CC=C1CCN)O,DZGWFCGJZKJUFP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Phenethylamines,none,none,none,none,none,none
5614,tyrphostin A9,OtherMutliCpd,Compound,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N,MZOPWQKISXCCTP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
5625,Delavirdine,Drug,Compound,CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C,WHBIGIKBNXZKFE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,Pyridinylpiperazines,none,none,none,none,none,none
5634,10-UNDECENOIC ACID,OtherMutliCpd,Compound,C=CCCCCCCCCC(=O)O,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5656,venlafaxine,Drug,Compound,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,PNVNVHUZROJLTJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
5665,vigabatrin,Drug,Compound,C=CC(CCC(=O)O)N,PJDFLNIOAUIZSL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
5694,Pirinixic acid,OtherMutliCpd,Compound,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,SZRPDCCEHVWOJX-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
5699,xanthurenic acid,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O,FBZONXHGGPHHIY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
5719,zaleplon,Drug,Compound,CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C,HUNXMJYCHXQEGX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Phenylpyrimidines,none,none,none,none,none,none
5732,zolpidem,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,ZAFYATHCZYHLPB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Imidazoles,Substituted imidazoles,Phenylimidazoles,none,none,none,none,none
5734,zonisamide,Drug,Compound,C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N,UBQNRHZMVUUOMG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzisoxazoles,none,Benzisoxazoles,none,none,none,none,none,none
5735,zopiclone,Drug,Compound,CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,GBBSUAFBMRNDJC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,Cyclopyrrolones,Cyclopyrrolones,none,none,none,none,none,none
5743,dexamethasone,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,UREBDLICKHMUKA-CXSFZGCWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5753,CORTICOSTERONE,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,OMFXVFTZEKFJBZ-HJTSIMOOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5754,hydrocortisone,Drug,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,JYGXADMDTFJGBT-VWUMJDOOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5755,prednisolone,Drug,Compound,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,OIGNJSKKLXVSLS-VWUMJDOOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5756,estriol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,PROQIPRRNZUXQM-ZXXIGWHRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
5757,estradiol,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O,VOXZDWNPVJITMN-ZBRFXRBCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
5770,reserpine,Drug,Compound,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,QEVHRUUCFGRFIF-MDEJGZGSSA-N,Organic compounds,Alkaloids and derivatives,Yohimbine alkaloids,none,Yohimbine alkaloids,none,none,none,none,none,none
5775,phentolamine,Drug,Compound,CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O,MRBDMNSDAVCSSF-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Tertiary amines,Tertiary alkylarylamines,Alkyldiarylamines,none,none,none,none
5779,D-ribofuranose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O,HMFHBZSHGGEWLO-SOOFDHNKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
5780,D-Sorbitol,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O,FBPFZTCFMRRESA-JGWLITMVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
5781,Alloxan,OtherMutliCpd,Compound,C1(=O)C(=O)NC(=O)NC1=O,HIMXGTXNXJYFGB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,none,none,none,none,none,none
5793,D-Glucose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O,WQZGKKKJIJFFOK-GASJEMHNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
5810,trans-4-Hydroxy-L-proline,OtherMutliCpd,Compound,C1[C@H](CN[C@@H]1C(=O)O)O,PMMYEEVYMWASQN-DMTCNVIQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
5815,Epinephrine bitartrate,Drug,Compound,CNC[C@@H](C1=CC(=C(C=C1)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,YLXIPWWIOISBDD-NDAAPVSOSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
5816,epinephrine,OtherMutliCpd,Compound,CNC[C@@H](C1=CC(=C(C=C1)O)O)O,UCTWMZQNUQWSLP-VIFPVBQESA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
5819,L-thyroxine,Drug,Compound,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N,XUIIKFGFIJCVMT-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
5825,Ditab,Drug,Compound,C[C@@H](CC1=CC=CC=C1)N.C[C@@H](CC1=CC=CC=C1)N.OS(=O)(=O)O,PYHRZPFZZDCOPH-QXGOIDDHSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
5852,D-Penicillamine,Drug,Compound,CC(C)([C@H](C(=O)O)N)S,VVNCNSJFMMFHPL-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Valine and derivatives,none,none,none,none
5862,L-cysteine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)S,XUJNEKJLAYXESH-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
5865,prednisone,Drug,Compound,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,XOFYZVNMUHMLCC-ZPOLXVRWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5870,estrone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O,DNXHEGUUPJUMQT-CBZIJGRNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
5878,OXANDROLONE,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C,QSLJIVKCVHQPLV-PEMPUTJUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Steroid lactones,none,none,none,none,none,none
5880,etiocholanolone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,QGXBDMJGAMFCBF-BNSUEQOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
5886,NADP+,OtherMutliCpd,Compound,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N,XJLXINKUBYWONI-NNYOXOHSSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
5904,penicillin g,Drug,Compound,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,JGSARLDLIJGVTE-MBNYWOFBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5920,liothyronine,Drug,Compound,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O,AUYYCJSJGJYCDS-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
5950,L-alanine,OtherMutliCpd,Compound,C[C@@H](C(=O)O)N,QNAYBMKLOCPYGJ-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
5951,L-serine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)O,MTCFGRXMJLQNBG-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Serine and derivatives,none,none,none,none
5957,Adenosine triphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,ZKHQWZAMYRWXGA-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside triphosphates,none,none,none,none,none,none
5958,Robison ester,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)(O)O,NBSCHQHZLSJFNQ-GASJEMHNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
5959,chloramphenicol,Drug,Compound,C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],WIIZWVCIJKGZOK-RKDXNWHRSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrobenzenes,none,none,none,none,none,none
5960,L-aspartic acid,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)C(=O)O,CKLJMWTZIZZHCS-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
5961,L-glutamine,Drug,Compound,C(CC(=O)N)[C@@H](C(=O)O)N,ZDXPYRJPNDTMRX-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
5962,L-lysine,OtherMutliCpd,Compound,C(CCN)C[C@@H](C(=O)O)N,KDXKERNSBIXSRK-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
5978,vincristine,Drug,Compound,CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,OGWKCGZFUXNPDA-XQKSVPLYSA-N,Organic compounds,Alkaloids and derivatives,Vinca alkaloids,none,Vinca alkaloids,none,none,none,none,none,none
5988,sucrose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O,CZMRCDWAGMRECN-UGDNZRGBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
5991,ethinyl estradiol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,BFPYWIDHMRZLRN-SLHNCBLASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
5994,progesterone,Drug,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,RJKFOVLPORLFTN-LEKSSAKUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
6004,Sulfovinic acid,OtherMutliCpd,Compound,CCOS(=O)(=O)O,KIWBPDUYBMNFTB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Sulfuric acid esters,Sulfuric acid monoesters,none,none,none,none,none,none
6006,leucovorin,Drug,Compound,C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,VVIAGPKUTFNRDU-ABLWVSNPSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
6010,methyltestosterone,Drug,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C,GCKMFJBGXUYNAG-HLXURNFRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
6013,testosterone,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,MUMGGOZAMZWBJJ-DYKIIFRCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
6018,TETRABENAZINE,Drug,Compound,CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC,MKJIEFSOBYUXJB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
6021,inosine,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,UGQMRVRMYYASKQ-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
6022,Adenosine 5'-diphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,XTWYTFMLZFPYCI-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside diphosphates,none,none,none,none,none,none
6030,Uridylic acid,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,DJJCXFVJDGTHFX-XVFCMESISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine ribonucleotides,Pyrimidine ribonucleoside monophosphates,none,none,none,none,none,none
6031,Uridine 5'-diphosphate,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O,XCCTYIAWTASOJW-XVFCMESISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine ribonucleotides,Pyrimidine ribonucleoside diphosphates,none,none,none,none,none,none
6037,folic acid,Drug,Compound,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,OVBPIULPVIDEAO-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
6041,phenylephrine,Drug,Compound,CNC[C@@H](C1=CC(=CC=C1)O)O,SONNWYBIRXJNDC-VIFPVBQESA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
6043,2-BENZOXAZOLINONE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)NC(=O)O2,ASSKVPFEZFQQNQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazoles,Benzoxazolones,Benzoxazolones,none,none,none,none,none,none
6047,levodopa,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,WTDRDQBEARUVNC-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
6050,TRIBUTYRIN,OtherMutliCpd,Compound,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,UYXTWWCETRIEDR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
6054,2-PHENYLETHANOL,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCO,WRMNZCZEMHIOCP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
6057,L-tyrosine,OtherMutliCpd,Compound,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O,OUYCCCASQSFEME-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
6072,Phlorizin,OtherMutliCpd,Compound,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,IOUVKUPGCMBWBT-QNDFHXLGSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
6076,cAMP,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O,IVOMOUWHDPKRLL-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Cyclic purine nucleotides,3'--5'-cyclic purine nucleotides,none,none,none,none,none,none
6083,adenosine 5'-monophosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,UDMBCSSLTHHNCD-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
6088,3-(2-Methylaminoethyl)indole,OtherMutliCpd,Compound,CNCCC1=CNC2=CC=CC=C21,NCIKQJBVUNUXLW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
6089,"N	N-DIMETHYLTRYPTAMINE",OtherMutliCpd,Compound,CN(C)CCC1=CNC2=CC=CC=C21,DMULVCHRPCFFGV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
6106,L-leucine,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)O)N,ROHFNLRQFUQHCH-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Leucine and derivatives,none,none,none,none
6115,ANILINE,OtherMutliCpd,Compound,C1=CC=C(C=C1)N,PAYRUJLWNCNPSJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
6116,Calcium acetate,OtherMutliCpd,Compound,CC(=O)[O-].CC(=O)[O-].[Ca+2],VSGNNIFQASZAOI-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
6119,2-Aminoisobutyric acid,OtherMutliCpd,Compound,CC(C)(C(=O)O)N,FUOOLUPWFVMBKG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
6128,androstenedione,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,AEMFNILZOJDQLW-QAGGRKNESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
6133,uridine 5'-triphosphate,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,PGAVKCOVUIYSFO-XVFCMESISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine ribonucleotides,Pyrimidine ribonucleoside triphosphates,none,none,none,none,none,none
6134,beta-D-Lactose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,GUBGYTABKSRVRQ-DCSYEGIMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
6137,L-methionine,OtherMutliCpd,Compound,CSCC[C@@H](C(=O)O)N,FFEARJCKVFRZRR-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Methionine and derivatives,none,none,none,none
6140,L-phenylalanine,OtherMutliCpd,Compound,C1=CC=C(C=C1)C[C@@H](C(=O)O)N,COLNVLDHVKWLRT-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
6166,desoxycorticosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,ZESRJSPZRDMNHY-YFWFAHHUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
6167,colchicine,Drug,Compound,CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,IAKHMKGGTNLKSZ-INIZCTEOSA-N,Organic compounds,Hydrocarbon derivatives,Tropones,none,Tropones,none,none,none,none,none,none
6180,N-Acetyl-DL-methionine,OtherMutliCpd,Compound,CC(=O)NC(CCSC)C(=O)O,XUYPXLNMDZIRQH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Methionine and derivatives,none,none,none,none
6184,HEXANAL,OtherMutliCpd,Compound,CCCCCC=O,JARKCYVAAOWBJS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
6196,oxacillin,Drug,Compound,CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,UWYHMGVUTGAWSP-JKIFEVAISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
6199,Psoralen,OtherMutliCpd,Compound,C1=CC(=O)OC2=CC3=C(C=CO3)C=C21,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
6200,66-98-8,OtherMutliCpd,Compound,C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C=O,FEHLIYXNTWAEBQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
6202,THIAMINE HYDROCHLORIDE,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-],DPJRMOMPQZCRJU-UHFFFAOYSA-M,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,none,none,none,none,none,none
6215,FLUOCINOLONE ACETONIDE,Drug,Compound,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O,FEBLZLNTKCEFIT-VSXGLTOVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
6224,Sodium citrate,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+],HRXKRNGNAMMEHJ-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
6230,norethindrone,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,VIKNJXKGJWUCNN-XGXHKTLJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
6234,D-cycloserine,Drug,Compound,C1[C@H](C(=O)NO1)N,DYDCUQKUCUHJBH-UWTATZPHSA-N,Organic compounds,Organoheterocyclic compounds,Azolines,Isoxazolines,Isoxazolines,none,none,none,none,none,none
6238,hydroxyprogesterone,Drug,Compound,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,DBPWSSGDRRHUNT-CEGNMAFCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
6249,ampicillin,Drug,Compound,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C,AVKUERGKIZMTKX-NJBDSQKTSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Penams,Penicillins,none,none,none,none,none
6251,D-mannitol,Drug,Compound,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,FBPFZTCFMRRESA-KVTDHHQDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
6262,L-ornithine,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)N)CN,AHLPHDHHMVZTML-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
6267,L-asparagine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)C(=O)N,DCXYFEDJOCDNAF-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Asparagine and derivatives,none,none,none,none
6274,L-histidine,OtherMutliCpd,Compound,C1=C(NC=N1)C[C@@H](C(=O)O)N,HNDVDQJCIGZPNO-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
6276,1-Pentanol,OtherMutliCpd,Compound,CCCCCO,AMQJEAYHLZJPGS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
6288,L-threonine,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)O)N)O,AYFVYJQAPQTCCC-GBXIJSLDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
6305,L-tryptophan,Drug,Compound,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N,QIVBCDIJIAJPQS-VIFPVBQESA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
6322,L-arginine,Drug,Compound,C(C[C@@H](C(=O)O)N)CN=C(N)N,ODKSFYDXXFIFQN-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
6341,Ethanamine,OtherMutliCpd,Compound,CCN,QUSNBJAOOMFDIB-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
6354,Oxirane,OtherMutliCpd,Compound,C1CO1,IAYPIBMASNFSPL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,none,Epoxides,none,none,none,none,none,none
6363,ISOPROPYLAMINE,OtherMutliCpd,Compound,CC(C)N,JJWLVOIRVHMVIS-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
6378,Propylene oxide,OtherMutliCpd,Compound,CC1CO1,GOOHAUXETOMSMM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,none,Epoxides,none,none,none,none,none,none
6386,tert-Butanol,OtherMutliCpd,Compound,CC(C)(C)O,DKGAVHZHDRPRBM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
6405,2-METHYL-2-BUTANOL,OtherMutliCpd,Compound,CCC(C)(C)O,MSXVEPNJUHWQHW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
6446,fluoxymesterone,Drug,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F,YLRFCQOZQXIBAB-RBZZARIASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
6448,BORNYL ACETATE,OtherMutliCpd,Compound,CC(=O)OC1CC2CCC1(C2(C)C)C,KGEKLUUHTZCSIP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
6476,METHSUXIMIDE,Drug,Compound,CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2,AJXPJJZHWIXJCJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,Phenylpyrrolidines,Phenylpyrrolidines,none,none,none,none,none,none
6493,3-METHYL-3-PENTANOL,OtherMutliCpd,Compound,CCC(C)(CC)O,FRDAATYAJDYRNW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
6501,77-83-8,OtherMutliCpd,Compound,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,LQKRYVGRPXFFAV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,Oxirane carboxylic acids and derivatives,Oxirane carboxylic acids,none,none,none,none,none,none
6503,Trometamol,Drug,Compound,C(C(CO)(CO)N)O,LENZDBCJOHFCAS-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
6505,ACETYL TRIBUTYL CITRATE,OtherMutliCpd,Compound,CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C,QZCLKYGREBVARF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
6506,TRIETHYL CITRATE,OtherMutliCpd,Compound,CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O,DOOTYTYQINUNNV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
6508,quinic acid,OtherMutliCpd,Compound,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,AAWZDTNXLSGCEK-LNVDRNJUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
6514,3-MERCAPTOPROPIONIC ACID,OtherMutliCpd,Compound,C(CS)C(=O)O,DKIDEFUBRARXTE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
6548,TETRAHYDROLINALOOL,OtherMutliCpd,Compound,CCC(C)(CCCC(C)C)O,DLHQZZUEERVIGQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
6558,ISOBUTYLAMINE,OtherMutliCpd,Compound,CC(C)CN,KDSNLYIMUZNERS-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
6560,2-Methyl-1-propanol,OtherMutliCpd,Compound,CC(C)CO,ZXEKIIBDNHEJCQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
6561,ISOBUTYRALDEHYDE,OtherMutliCpd,Compound,CC(C)C=O,AMIMRNSIRUDHCM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Short-chain aldehydes,none,none,none,none,none
6566,2-Chloropropan-1-ol,OtherMutliCpd,Compound,CC(CO)Cl,VZIQXGLTRZLBEX-UHFFFAOYSA-N,Organic compounds,Organohalogen compounds,Halohydrins,Chlorohydrins,Chlorohydrins,none,none,none,none,none,none
6567,"1	2-DIAMINOPROPANE",OtherMutliCpd,Compound,CC(CN)N,AOHJOMMDDJHIJH-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
6568,2-Butanol,OtherMutliCpd,Compound,CCC(C)O,BTANRVKWQNVYAZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
6569,2-Butanone,OtherMutliCpd,Compound,CCC(=O)C,ZWEHNKRNPOVVGH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
6584,METHYL ACETATE,OtherMutliCpd,Compound,CC(=O)OC,KXKVLQRXCPHEJC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Methyl esters,none,none,none,none,none
6585,PERACETIC ACID,OtherMutliCpd,Compound,CC(=O)OO,KFSLWBXXFJQRDL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Peroxycarboxylic acids and derivatives,Peroxycarboxylic acids,none,none,none,none,none,none
6590,ISOBUTYRIC ACID,OtherMutliCpd,Compound,CC(C)C(=O)O,KQNPFQTWMSNSAP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
6623,Bisphenol A,OtherMutliCpd,Compound,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,IISBACLAFKSPIT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Bisphenols,none,none,none,none,none,none
6651,TERPIN,OtherMutliCpd,Compound,CC1(CCC(CC1)C(C)(C)O)O,RBNWAMSGVWEHFP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
6660,80-71-7,OtherMutliCpd,Compound,CC1=C(C(=O)CC1)O,CFAKWWQIUFSQFU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
6665,Dihydrocholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,QYIXCDOBOSTCEI-QCYZZNICSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
6669,MUSK KETONE,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C,WXCMHFPAUCOJIG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
6695,Rhodamine B cation,OtherMutliCpd,Compound,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O,CVAVMIODJQHEEH-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
6723,4-Pyridoxic acid,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)C(=O)O)CO,HXACOUQIXZGNBF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
6736,3-METHYLINDOLE,OtherMutliCpd,Compound,CC1=CNC2=CC=CC=C12,ZFRKQXVRDFCRJG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,3-methylindoles,none,none,none,none,none
6738,3-Methylsalicylic acid,OtherMutliCpd,Compound,CC1=CC=CC(=C1O)C(=O)O,WHSXTWFYRGOBGO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
6741,methylprednisolone,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O,VHRSUDSXCMQTMA-PJHHCJLFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
6754,4-Amino-2-methyl-1-naphthol,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)N)O,UGQFCTZXVAPVCS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
6758,rotenone,OtherMutliCpd,Compound,CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC,JUVIOZPCNVVQFO-HBGVWJBISA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
6802,guanosine,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N,NYHBQMYGNKIUIF-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
6804,5'-Guanylic acid,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N,RQFCJASXJCIDSX-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
6816,coenzyme A,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,RGJOEKWQDUBAIZ-DRCCLKDXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside bisphosphates,Purine ribonucleoside 3'--5'-bisphosphates,Coenzyme A and derivatives,none,none,none,none
6821,3'-Methylphthalanilic acid,OtherMutliCpd,Compound,CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O,AZPJXONNBLOZFE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,Benzanilides,none,none,none,none,none
6826,Methyl 2-(methylamino)benzoate,OtherMutliCpd,Compound,CNC1=CC=CC=C1C(=O)OC,GVOWHGSUZUUUDR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
6830,GUANOSINE TRIPHOSPHATE,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N,XKMLYUALXHKNFT-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside triphosphates,none,none,none,none,none,none
6832,Benztropinum,Drug,Compound,CN1[C@@H]2CC[C@@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4,GIJXKZJWITVLHI-RTBURBONSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
6834,BROMPHENIRAMINE,Drug,Compound,CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2,ZDIGNSYAACHWNL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pheniramines,Pheniramines,none,none,none,none,none,none
6853,FLUORENE,OtherMutliCpd,Compound,C1C2=CC=CC=C2C3=CC=CC=C31,NIHNNTQXNPWCJQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Fluorenes,none,Fluorenes,none,none,none,none,none,none
6861,1-NAPHTHALENEACETAMIDE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,XFNJVKMNNVCYEK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
6862,1-Naphthylacetic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,PRPINYUDVPFIRX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
6873,Isobutyl salicylate,OtherMutliCpd,Compound,CC(C)COC(=O)C1=CC=CC=C1O,PTXDBYSCVQQBNF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
6874,Isoamyl salicylate,OtherMutliCpd,Compound,CC(C)CCOC(=O)C1=CC=CC=C1O,PMGCQNGBLMMXEW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
6877,Ethyl 2-aminobenzoate,OtherMutliCpd,Compound,CCOC(=O)C1=CC=CC=C1N,TWLLPUMZVVGILS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
6884,"2	4	6-TRICHLOROANISOLE",OtherMutliCpd,Compound,COC1=C(C=C(C=C1Cl)Cl)Cl,WCVOGSZTONGSQY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
6885,PHTHALIDE,OtherMutliCpd,Compound,C1C2=CC=CC=C2C(=O)O1,WNZQDUSMALZDQF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Phthalides,none,none,none,none,none,none
6890,Gramine,OtherMutliCpd,Compound,CN(C)CC1=CNC2=CC=CC=C21,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
6915,2-ETHYLBUTYRIC ACID,OtherMutliCpd,Compound,CCC(CC)C(=O)O,OXQGTIUCKGYOAA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,none,none,none,none,none,none
6919,2-FUROIC ACID,OtherMutliCpd,Compound,C1=COC(=C1)C(=O)O,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acids,none,none,none,none,none,none
6920,2-ACETYLTHIOPHENE,OtherMutliCpd,Compound,CC(=O)C1=CC=CS1,WYJOVVXUZNRJQY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
6929,88-26-6,OtherMutliCpd,Compound,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,HNURKXXMYARGAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
6930,Versalide,OtherMutliCpd,Compound,CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C,KSEZPRJUTHMFGZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
6942,2-AMINOBENZAMIDE,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)N)N,PXBFMLJZNCDSMP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Anthranilamides,none,none,none,none,none
6943,2-Isopropylphenol,OtherMutliCpd,Compound,CC(C)C1=CC=CC=C1O,CRBJBYGJVIBWIY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
6950,DINOSEB,OtherMutliCpd,Compound,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],OWZPCEFYPSAJFR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Nitrophenols,Dinitrophenols,none,none,none,none,none,none
6968,PTEROPTERIN,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,WOLQREOUPKZMEX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6985,"2'	4'-Dimethylacetophenone",OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(=O)C)C,HSDSKVWQTONQBJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
6990,"2'	4'-DIHYDROXYACETOPHENONE",OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1)O)O,SULYEHHGGXARJS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
6997,2-ETHYLPHENOL,OtherMutliCpd,Compound,CCC1=CC=CC=C1O,IXQGCWUGDFDQMF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
6998,SALICYLALDEHYDE,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C=O)O,SMQUZDBALVYZAC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,Benzaldehydes,Hydroxybenzaldehydes,none,none,none
7002,1-METHYLNAPHTHALENE,OtherMutliCpd,Compound,CC1=CC=CC2=CC=CC=C12,QPUYECUOLPXSFR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
7005,1-NAPHTHOL,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC=C2O,KJCVRFUGPWSIIH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
7012,2-Phenylbutyric acid,OtherMutliCpd,Compound,CCC(C1=CC=CC=C1)C(=O)O,OFJWFSNDPCAWDK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
7017,2-Phenylphenol,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC=CC=C2O,LLEMOWNGBBNAJR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
7028,PSEUDOEPHEDRINE,OtherMutliCpd,Compound,C[C@@H]([C@H](C1=CC=CC=C1)O)NC,KWGRBVOPPLSCSI-WCBMZHEXSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
7029,DIETHYLPROPION,Drug,Compound,CCN(CC)C(C)C(=O)C1=CC=CC=C1,XXEPPPIWZFICOJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
7041,"2	6-DIMETHOXYPHENOL",OtherMutliCpd,Compound,COC1=C(C(=CC=C1)OC)O,KLIDCXVFHGNTTM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
7043,"1	2-Dimethoxybenzene",OtherMutliCpd,Compound,COC1=CC=CC=C1OC,ABDKAPXRBAPSQN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
7047,QUINOLINE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC=N2,SMWDFEZZVXVKRB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
7055,2-METHYLNAPHTHALENE,OtherMutliCpd,Compound,CC1=CC2=CC=CC=C2C=C1,QIMMUPPBPVKWKM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
7058,2-NAPHTHALENETHIOL,OtherMutliCpd,Compound,C1=CC=C2C=C(C=CC2=C1)S,RFCQDOVPMUSZMN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
7059,6-METHYLQUINOLINE,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)N=CC=C2,LUYISICIYVKBTA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
7092,6-Methylcoumarin,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)OC(=O)C=C2,FXFYOPQLGGEACP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
7095,Biphenyl,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC=CC=C2,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
7102,4-Aminobiphenyl,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC=C(C=C2)N,DMVOXQPQNTYEKQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
7107,9H-Xanthene,OtherMutliCpd,Compound,C1C2=CC=CC=C2OC3=CC=CC=C31,GJCOSYZMQJWQCA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
7119,2-METHOXYNAPHTHALENE,OtherMutliCpd,Compound,COC1=CC2=CC=CC=C2C=C1,LUZDYPLAQQGJEA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
7121,"3	4-Dimethoxybenzoic acid",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C(=O)O)OC,DAUAQNGYDSHRET-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
7122,2-Acetylnaphthalene,OtherMutliCpd,Compound,CC(=O)C1=CC2=CC=CC=C2C=C1,XSAYZAUNJMRRIR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
7124,Quinoline-2-carboxylic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC(=N2)C(=O)O,LOAUVZALPPNFOQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
7127,METHYLEUGENOL,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC=C)OC,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
7129,2-ETHOXYNAPHTHALENE,OtherMutliCpd,Compound,CCOC1=CC2=CC=CC=C2C=C1,GUMOJENFFHZAFP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
7136,Acetyleugenol,OtherMutliCpd,Compound,CC(=O)OC1=C(C=C(C=C1)CC=C)OC,SCCDQYPEOIRVGX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
7139,93-40-3,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC(=O)O)OC,WUAXWQRULBZETB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
7144,2-METHOXY-4-METHYLPHENOL,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)O)OC,PETRWTHZSKVLRE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
7146,2-Phenylpropanal,OtherMutliCpd,Compound,CC(C=O)C1=CC=CC=C1,IQVAERDLDAZARL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
7147,1-Phenyl-1-propanol,OtherMutliCpd,Compound,CCC(C1=CC=CC=C1)O,DYUQAZSOFZSPHD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
7148,Propiophenone,OtherMutliCpd,Compound,CCC(=O)C1=CC=CC=C1,KRIOVPPHQSLHCZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
7150,METHYL BENZOATE,OtherMutliCpd,Compound,COC(=O)C1=CC=CC=C1,QPJVMBTYPHYUOC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
7151,METHYL NICOTINATE,OtherMutliCpd,Compound,COC(=O)C1=CN=CC=C1,YNBADRVTZLEFNH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
7165,ETHYL BENZOATE,OtherMutliCpd,Compound,CCOC(=O)C1=CC=CC=C1,MTZQAGJQAFMTAQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
7167,BENZOIC ANHYDRIDE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2,CHIHQLCVLOXUJW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7170,ETHYL BENZOYLACETATE,OtherMutliCpd,Compound,CCOC(=O)CC(=O)C1=CC=CC=C1,GKKZMYDNDDMXSE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
7172,Synephrine,OtherMutliCpd,Compound,CNCC(C1=CC=C(C=C1)O)O,YRCWQPVGYLYSOX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
7175,Propyl 4-hydroxybenzoate,OtherMutliCpd,Compound,CCCOC(=O)C1=CC=C(C=C1)O,QELSKZZBTMNZEB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
7184,Butyl 4-hydroxybenzoate,OtherMutliCpd,Compound,CCCCOC(=O)C1=CC=C(C=C1)O,QFOHBWFCKVYLES-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
7187,BENZOYL PEROXIDE,Drug,Compound,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,OMPJBNCRMGITSC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl peroxides,Benzoyl peroxides,none,none,none,none,none,none
7193,Isopentyl benzoate,OtherMutliCpd,Compound,CC(C)CCOC(=O)C1=CC=CC=C1,MLLAPOCBLWUFAP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
7194,Phenethyl benzoate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2,OSORMYZMWHVFOZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
7196,PIPERONYLIC ACID,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)C(=O)O,VDVJGIYXDVPQLP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
7222,BENZOTHIAZOLE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)N=CS2,IOJUPLGTWVMSFF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
7225,2-Methylbenzoxazole,OtherMutliCpd,Compound,CC1=NC2=CC=CC=C2O1,DQSHFKPKFISSNM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazoles,none,Benzoxazoles,none,none,none,none,none,none
7242,o-Toluidine,OtherMutliCpd,Compound,CC1=CC=CC=C1N,RNVCVTLRINQCPJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Aminotoluenes,none,none,none,none,none,none
7244,2-BROMOPHENOL,OtherMutliCpd,Compound,C1=CC=C(C(=C1)O)Br,VADKRMSMGWJZCF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Halophenols,Bromophenols,O-bromophenols,none,none,none,none,none
7249,"3	4-DIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=C(C=C(C=C1)O)C,YCOXTKKNXUZSKD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
7267,"2	5-DIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C)O,NKTOLZVEWDHZMU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Xylenes,Xylenols,p-Xylenols,none,none,none,none,none
7283,2-METHYLBUTYLAMINE,OtherMutliCpd,Compound,CCC(C)CN,VJROPLWGFCORRM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
7284,2-Methylbutyraldehyde,OtherMutliCpd,Compound,CCC(C)C=O,BYGQBDHUGHBGMD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Short-chain aldehydes,none,none,none,none,none
7288,3-PENTANONE,OtherMutliCpd,Compound,CCC(=O)CC,FDPIMTJIUBPUKL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
7290,"3-Chloro-1	2-propanediol",OtherMutliCpd,Compound,C(C(CCl)O)O,SSZWWUDQMAHNAQ-UHFFFAOYSA-N,Organic compounds,Organohalogen compounds,Halohydrins,Chlorohydrins,Chlorohydrins,none,none,none,none,none,none
7298,CYCLOPENTANOL,OtherMutliCpd,Compound,C1CCC(C1)O,XCIXKGXIYUWCLL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclopentanols,none,none,none,none,none
7304,1-Methyl-1H-pyrrole,OtherMutliCpd,Compound,CN1C=CC=C1,OXHNLMTVIGZXSG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,N-substituted pyrroles,N-methylpyrroles,none,none,none,none,none
7314,LACTOBIONIC ACID,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O,JYTUSYBCFIZPBE-AMTLMPIISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
7322,5-Sulfosalicylic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O,YCPXWRQRBFJBPZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Sulfobenzoic acids,3-sulfobenzoic acids,none,none,none,none,none
7341,2-Methylpentanoic acid,OtherMutliCpd,Compound,CCCC(C)C(=O)O,OVBFMEVBMNZIBR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
7342,ETHYL ISOBUTYRATE,OtherMutliCpd,Compound,CCOC(=O)C(C)C,WDAXFOBOLVPGLV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7344,ETHYL LACTATE,OtherMutliCpd,Compound,CCOC(=O)C(C)O,LZCLXQDLBQLTDK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7351,Isobutyl isobutyrate,OtherMutliCpd,Compound,CC(C)COC(=O)C(C)C,RXGUIWHIADMCFC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7353,Butyl isobutyrate,OtherMutliCpd,Compound,CCCCOC(=O)C(C)C,JSLCOZYBKYHZNL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7359,2-Ethylbutanal,OtherMutliCpd,Compound,CCC(CC)C=O,UNNGUFMVYQJGTD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
7360,TETRAHYDROFURFURYL ALCOHOL,OtherMutliCpd,Compound,C1CC(OC1)CO,BSYVTEYKTMYBMK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
7361,FURFURYL ALCOHOL,OtherMutliCpd,Compound,C1=COC(=C1)CO,XPFVYQJUAUNWIW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
7362,2-Furaldehyde,OtherMutliCpd,Compound,C1=COC(=C1)C=O,HYBBIBNJHNGZAN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
7363,Furfuryl mercaptan,OtherMutliCpd,Compound,C1=COC(=C1)CS,ZFFTZDQKIXPDAF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
7364,Thiophene-2-carbaldehyde,OtherMutliCpd,Compound,C1=CSC(=C1)C=O,CNUDBTRUORMMPA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
7393,4-tert-Butylphenol,OtherMutliCpd,Compound,CC(C)(C)C1=CC=C(C=C1)O,QHPQWRBYOIRBIT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
7405,L-Pyroglutamic acid,OtherMutliCpd,Compound,C1CC(=O)N[C@@H]1C(=O)O,ODHCTXKNWHHXJC-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
7406,CUMENE,OtherMutliCpd,Compound,CC(C)C1=CC=CC=C1,RWGFKTVRMDUZSP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
7408,1-Phenylethanamine,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)N,RQEUFEKYXDPUSK-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
7409,1-Phenylethanol,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)O,WAPNOHKVXSQRPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7410,ACETOPHENONE,OtherMutliCpd,Compound,CC(=O)C1=CC=CC=C1,KWOLFJPFCHCOCG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
7413,CYCLOHEXANECARBOXYLIC ACID,OtherMutliCpd,Compound,C1CCC(CC1)C(=O)O,NZNMSOFKMUBTKW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
7419,3-AMINOBENZOIC ACID,OtherMutliCpd,Compound,C1=CC(=CC(=C1)N)C(=O)O,XFDUHJPVQKIXHO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
7420,3-Hydroxybenzoic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C(=O)O,IJFXRHURBJZNAO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
7424,"3	5-DIHYDROXYBENZOIC ACID",OtherMutliCpd,Compound,C1=C(C=C(C=C1O)O)C(=O)O,UYEMGAFJOZZIFP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
7427,trehalose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O,HDTRYLNUVZCQOY-LIZSDCNHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
7428,METHYL GALLATE,OtherMutliCpd,Compound,COC(=O)C1=CC(=C(C(=C1)O)O)O,FBSFWRHWHYMIOG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
7438,CARVEOL,OtherMutliCpd,Compound,CC1=CCC(CC1O)C(=C)C,BAVONGHXFVOKBV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
7439,CARVONE,OtherMutliCpd,Compound,CC1=CCC(CC1=O)C(=C)C,ULDHMXUKGWMISQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
7456,Methyl 4-hydroxybenzoate,OtherMutliCpd,Compound,COC(=O)C1=CC=C(C=C1)O,LXCFILQKKLGQFO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
7463,P-CYMENE,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)C,HFPZCAJZSCWRBC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
7465,4-Isopropylphenol,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)O,YQUQWHNMBPIWGK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
7469,4'-Hydroxyacetophenone,OtherMutliCpd,Compound,CC(=O)C1=CC=C(C=C1)O,TXFPEBPIARQUIG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
7470,4-Methylbenzoic acid,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(=O)O,LPNBBFKOUUSUDB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
7476,4'-Methoxyacetophenone,OtherMutliCpd,Compound,CC(=O)C1=CC=C(C=C1)OC,NTPLXRHDUXRPNE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
7478,4-METHOXYBENZOIC ACID,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(=O)O,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
7489,TEREPHTHALIC ACID,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)O)C(=O)O,KKEYFWRCBNTPAC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Phthalic acid and derivatives,P-phthalic acid and derivatives,none,none,none,none,none
7497,2-(Diethylamino)ethanol,OtherMutliCpd,Compound,CCN(CC)CCO,BFSVOASYOCHEOV-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
7500,ETHYLBENZENE,OtherMutliCpd,Compound,CCC1=CC=CC=C1,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7501,STYRENE,OtherMutliCpd,Compound,C=CC1=CC=CC=C1,PPBRXRYQALVLMV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
7502,4-VINYLPYRIDINE,OtherMutliCpd,Compound,C=CC1=CC=NC=C1,KFDVPJUYSDEJTH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
7504,BENZYLAMINE,OtherMutliCpd,Compound,C1=CC=C(C=C1)CN,WGQKYBSKWIADBV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
7509,BENZYL MERCAPTAN,OtherMutliCpd,Compound,C1=CC=C(C=C1)CS,UENWRTRMUIOCKN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7515,N-METHYLANILINE,OtherMutliCpd,Compound,CNC1=CC=CC=C1,AFBPFSWMIHJQDM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,Phenylalkylamines,none,none,none,none,none
7519,ANISOLE,OtherMutliCpd,Compound,COC1=CC=CC=C1,RDOXTESZEPMUJZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
7520,Thioanisole,OtherMutliCpd,Compound,CSC1=CC=CC=C1,HNKJADCVZUBCPG-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
7523,2-ETHYLPYRIDINE,OtherMutliCpd,Compound,CCC1=CC=CC=N1,NRGGMCIBEHEAIL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
7531,2-Methyl-1-phenyl-2-propanol,OtherMutliCpd,Compound,CC(C)(CC1=CC=CC=C1)O,RIWRBSMFKVOJMN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
7559,METHYL PHENYLACETATE,OtherMutliCpd,Compound,COC(=O)CC1=CC=CC=C1,CRZQGDNQQAALAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7583,Diphenyl oxide,OtherMutliCpd,Compound,C1=CC=C(C=C1)OC2=CC=CC=C2,USIUVYZYUHIAEV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
7590,ETHYL PHENYLACETATE,OtherMutliCpd,Compound,CCOC(=O)CC1=CC=CC=C1,DULCUDSUACXJJC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7593,"1	3-Diphenylacetone",OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2,YFKBXYGUSOXJGS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,none,Linear 1--3-diarylpropanoids,none,none,none,none,none,none
7595,"1	3-Diphenylurea",OtherMutliCpd,Compound,C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2,GWEHVDNNLFDJLR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7599,4-Methoxybenzyl phenylacetate,OtherMutliCpd,Compound,COC1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2,VCYWCSZLXMMLLE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7600,102-19-2,OtherMutliCpd,Compound,CC(C)CCOC(=O)CC1=CC=CC=C1,QWBQBUWZZBUFHN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7601,Phenethyl phenylacetate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2,ZOZIRNMDEZKZHM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7618,TRIETHANOLAMINE,OtherMutliCpd,Compound,C(CO)N(CCO)CCO,GSEJCLTVZPLZKY-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
7632,2-Methyl-4-phenyl-2-butanol,OtherMutliCpd,Compound,CC(C)(CCC1=CC=CC=C1)O,YXVSKJDFNJFXAJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7633,Dmpec acetate,OtherMutliCpd,Compound,CC(=O)OC(C)(C)CCC1=CC=CC=C1,ZXFNOEJFYLQUSB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7638,4-Benzyloxyphenol,Drug,Compound,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,VYQNWZOUAUKGHI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,4-alkoxyphenols,4-alkoxyphenols,none,none,none,none,none,none
7641,BIS(2-ETHYLHEXYL) ADIPATE,OtherMutliCpd,Compound,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,SAOKZLXYCUGLFA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7643,Methyl 3-phenylpropionate,OtherMutliCpd,Compound,COC(=O)CCC1=CC=CC=C1,RPUSRLKKXPQSGP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7646,Benzyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OCC1=CC=CC=C1,UIKJRDSCEYGECG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7650,Benzyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCC1=CC=CC=C1,VONGZNXBKCOUHB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7651,Benzyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OCC1=CC=CC=C1,HVJKZICIMIWFCP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7654,Phenethyl acetate,OtherMutliCpd,Compound,CC(=O)OCCC1=CC=CC=C1,MDHYEMXUFSJLGV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7655,Phenethyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OCCC1=CC=CC=C1,JDQVBGQWADMTAM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7657,Benzyl ether,OtherMutliCpd,Compound,C1=CC=C(C=C1)COCC2=CC=CC=C2,MHDVGSVTJDSBDK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
7658,Phenethyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCCC1=CC=CC=C1,WFNDDSQUKATKNX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7662,3-Phenylpropyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OCCCC1=CC=CC=C1,VBTAKMZSMFMLGT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7669,N-METHYLBENZYLAMINE,OtherMutliCpd,Compound,CNCC1=CC=CC=C1,RIWRFSMVIUAEBX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
7670,N-ETHYLANILINE,OtherMutliCpd,Compound,CCNC1=CC=CC=C1,OJGMBLNIHDZDGS-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,Phenylalkylamines,none,none,none,none,none
7680,2-PHENYLACETAMIDE,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)N,LSBDFXRDZJMBSC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetamides,Phenylacetamides,none,none,none,none,none,none
7681,"N	N-DIMETHYLBENZYLAMINE",OtherMutliCpd,Compound,CN(C)CC1=CC=CC=C1,XXBDWLFCJWSEKW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
7685,p-Tolyl isobutyrate,OtherMutliCpd,Compound,CC1=CC=C(C=C1)OC(=O)C(C)C,UPPSFGGDKACIKP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
7690,4-Methoxyphenylacetic acid,OtherMutliCpd,Compound,COC1=CC=C(C=C1)CC(=O)O,NRPFNQUDKRYCNX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
7695,4-Methoxybenzyl acetate,OtherMutliCpd,Compound,CC(=O)OCC1=CC=C(C=C1)OC,HFNGYHHRRMSKEU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7699,Benzonatate,Drug,Compound,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,MAFMQEKGGFWBAB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
7702,4-Propylanisole,OtherMutliCpd,Compound,CCCC1=CC=C(C=C1)OC,KBHWKXNXTURZCD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
7704,104-50-7,OtherMutliCpd,Compound,CCCCC1CCC(=O)O1,IPBFYZQJXZJBFQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
7707,3-Phenylpropanal,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC=O,YGCZTXZTJXYWCO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7708,Benzyl formate,OtherMutliCpd,Compound,C1=CC=C(C=C1)COC=O,UYWQUFXKFGHYNT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
7710,gamma-Nonanolactone,OtherMutliCpd,Compound,CCCCCC1CCC(=O)O1,OALYTRUKMRCXNH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
7711,2-Phenylethyl formate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC=O,IKDIJXDZEYHZSD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
7714,Gamma-undecalactone,OtherMutliCpd,Compound,CCCCCCCC1CCC(=O)O1,PHXATPHONSXBIL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
7720,2-Ethylhexan-1-ol,OtherMutliCpd,Compound,CCCCC(CC)CO,YIWUKEYIRIRTPP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
7724,p-Tolunitrile,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C#N,VCZNNAKNUVJVGX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzonitriles,Benzonitriles,none,none,none,none,none,none
7725,p-Tolualdehyde,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C=O,FXLOVSHXALFLKQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
7728,5-Ethyl-2-methylpyridine,OtherMutliCpd,Compound,CCC1=CN=C(C=C1)C,NTSLROIKFLNUIJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
7731,4-Methylanisole,OtherMutliCpd,Compound,CC1=CC=C(C=C1)OC,CHLICZRVGGXEOD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
7732,p-Anisidine,OtherMutliCpd,Compound,COC1=CC=C(C=C1)N,BHAAPTBBJKJZER-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Aminophenyl ethers,Aminophenyl ethers,none,none,none,none,none,none
7733,Isobutyl furfurylacetate,OtherMutliCpd,Compound,CC(C)COC(=O)CCC1=CC=CO1,SVDPTFHRRNUNRS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7738,4-METHOXYBENZYL ALCOHOL,OtherMutliCpd,Compound,COC1=CC=C(C=C1)CO,MSHFRERJPWKJFX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
7742,gamma-Heptalactone,OtherMutliCpd,Compound,CCCC1CCC(=O)O1,VLSVVMPLPMNWBH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
7749,ETHYL PROPIONATE,OtherMutliCpd,Compound,CCC(=O)OCC,FKRCODPIKNYEAC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7755,3-Methylvaleric acid,OtherMutliCpd,Compound,CCC(C)CC(=O)O,IGIDLTISMCAULB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
7757,METHYL ACETOACETATE,OtherMutliCpd,Compound,CC(=O)CC(=O)OC,WRQNANDWMGAFTP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
7761,DIETHYL MALONATE,OtherMutliCpd,Compound,CCOC(=O)CC(=O)OCC,IYXGSMUGOJNHAZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
7762,ETHYL BUTYRATE,OtherMutliCpd,Compound,CCCC(=O)OCC,OBNCKNCVKJNDBV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7768,azepan-2-one,OtherMutliCpd,Compound,C1CCC(=O)NCC1,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Caprolactams,Caprolactams,none,none,none,none,none,none
7770,Propyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCCC,HUAZGNHGCJGYNP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7772,Isoamyl propionate,OtherMutliCpd,Compound,CCC(=O)OCCC(C)C,XAOGXQMKWQFZEM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7775,Isobutyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCC(C)C,UXUPPWPIGVTVQI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7790,Dipropyl adipate,OtherMutliCpd,Compound,CCCOC(=O)CCCCC(=O)OCCC,NKOUWLLFHNBUDW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7792,"3	7-Dimethyl-1-octanol",OtherMutliCpd,Compound,CC(C)CCCC(C)CCO,PRNCMAKCNVRZFX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
7793,(-)-Citronellol,OtherMutliCpd,Compound,C[C@@H](CCC=C(C)C)CCO,QMVPMAAFGQKVCJ-JTQLQIEISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
7794,CITRONELLAL,OtherMutliCpd,Compound,CC(CCC=C(C)C)CC=O,NEHNMFOYXAPHSD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
7795,Isoamyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCCC(C)C,PQLMXFQTAMDXIZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7797,ETHYL HEPTANOATE,OtherMutliCpd,Compound,CCCCCCC(=O)OCC,TVQGDYNRXLTQAP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7798,BUTYRIC ANHYDRIDE,OtherMutliCpd,Compound,CCCC(=O)OC(=O)CCC,YHASWHZGWUONAO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
7799,ETHYL OCTANOATE,OtherMutliCpd,Compound,CCCCCCCC(=O)OCC,YYZUSRORWSJGET-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7800,Ethyl dodecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCC,MMXKVMNBHPAILY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7802,3-Heptanone,OtherMutliCpd,Compound,CCCCC(=O)CC,NGAZZOYFWWSOGK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
7803,PROPYL PROPIONATE,OtherMutliCpd,Compound,CCCOC(=O)CC,MCSINKKTEDDPNK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7820,DIMETHYL SUCCINATE,OtherMutliCpd,Compound,COC(=O)CCC(=O)OC,MUXOBHXGJLMRAB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
7822,5-METHYL-3-HEPTANONE,OtherMutliCpd,Compound,CCC(C)CC(=O)CC,PSBKJPTZCVYXSD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
7824,METHYL HEXANOATE,OtherMutliCpd,Compound,CCCCCC(=O)OC,NUKZAGXMHTUAFE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
7826,METHYL HEPTANOATE,OtherMutliCpd,Compound,CCCCCCC(=O)OC,XNCNNDVCAUWAIT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
7847,ACROLEIN,OtherMutliCpd,Compound,C=CC=O,HGINCPLSRVDWNT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated aldehydes,Enals,none,none,none,none
7852,Propylamine,OtherMutliCpd,Compound,CCCN,WGYKZJWCGVVSQN-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
7860,GLYOXAL,OtherMutliCpd,Compound,C(=O)C=O,LEQAOMBKQFMDFZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Short-chain aldehydes,none,none,none,none,none
7888,Hydroxycitronellal,OtherMutliCpd,Compound,CC(CCCC(C)(C)O)CC=O,WPFVBOQKRVRMJB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
7894,ISOAMYLAMINE,OtherMutliCpd,Compound,CC(C)CCN,BMFVGAAISNGQNM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
7895,2-Pentanone,OtherMutliCpd,Compound,CCCC(=O)C,XNLICIUVMPYHGG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
7896,"1	3-BUTANEDIOL",OtherMutliCpd,Compound,CC(CCO)O,PUPZLCDOIYMWBV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
7902,2-(Dimethylamino)ethanol,OtherMutliCpd,Compound,CN(C)CCO,UEEJHVSXFDXPFK-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
7904,VINYL ACETATE,OtherMutliCpd,Compound,CC(=O)OC=C,XTXRWKRVRITETP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Enol esters,none,none,none,none,none
7909,4-Methyl-2-pentanone,OtherMutliCpd,Compound,CC(C)CC(=O)C,NTIZESTWPVYFNL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
7915,ISOPROPYL ACETATE,OtherMutliCpd,Compound,CC(C)OC(=O)C,JMMWKPVZQRWMSS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7916,Isopropenyl acetate,OtherMutliCpd,Compound,CC(=C)OC(=O)C,HETCEOQFVDFGSY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Enol esters,none,none,none,none,none
7918,ACETIC ANHYDRIDE,OtherMutliCpd,Compound,CC(=O)OC(=O)C,WFDIJRYMOXRFFG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
7921,gamma-Valerolactone,OtherMutliCpd,Compound,CC1CCC(=O)O1,GAEKPEKOJKCEMS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
7922,SUCCINIC ANHYDRIDE,OtherMutliCpd,Compound,C1CC(=O)OC1=O,RINCXYDBBGOEEQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
7936,"2	4-Lutidine",OtherMutliCpd,Compound,CC1=CC(=NC=C1)C,JYYNAJVZFGKDEQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
7937,"2	6-Dimethylpyridine",OtherMutliCpd,Compound,CC1=NC(=CC=C1)C,OISVCGZHLKNMSJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
7943,Dimethyl malonate,OtherMutliCpd,Compound,COC(=O)CC(=O)OC,BEPAFCGSDWSTEL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
7945,ETHYL ISOVALERATE,OtherMutliCpd,Compound,CCOC(=O)CC(C)C,PPXUHEORWJQRHJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7948,"3	5-DIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=CC(=CC(=C1)O)C,TUAMRELNJMMDMT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Meta cresols,none,none,none,none,none,none
7955,Melamine,Xenobiotic,Compound,C1(=NC(=NC(=N1)N)N)N,JDSHMPZPIAZGSV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Triazines,1--3--5-triazines,1--3--5-triazines,none,none,none,none,none,none
7957,"2	6-Dimethyl-4-heptanol",OtherMutliCpd,Compound,CC(C)CC(CC(C)C)O,HXQPUEQDBSPXTE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
7958,"2	6-Dimethyl-4-heptanone",OtherMutliCpd,Compound,CC(C)CC(=O)CC(C)C,PTTPXKJBFFKCEK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
7963,4-METHYLPYRIDINE,OtherMutliCpd,Compound,CC1=CC=NC=C1,FKNQCJSGGFJEIZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
7967,CYCLOHEXANONE,OtherMutliCpd,Compound,C1CCC(=O)CC1,JHIVVAPYMSGYDF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
7969,Benzenethiol,OtherMutliCpd,Compound,C1=CC=C(C=C1)S,RMVRSNDYEFQCLF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Thiophenols,none,Thiophenols,none,none,none,none,none,none
7970,3-METHYLPYRIDINE,OtherMutliCpd,Compound,CC1=CN=CC=C1,ITQTTZVARXURQS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
7975,2-METHYLPYRIDINE,OtherMutliCpd,Compound,CC1=CC=CC=N1,BSKHPKMHTQYZBB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
7981,BUTYL ISOVALERATE,OtherMutliCpd,Compound,CCCCOC(=O)CC(C)C,AYWJSCLAAPJZEF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7983,Butyl butyrate,OtherMutliCpd,Compound,CCCCOC(=O)CCC,XUPYJHCZDLZNFP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7986,DIBUTYL SEBACATE,OtherMutliCpd,Compound,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,PYGXAGIECVVIOZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
7991,Valeric acid,OtherMutliCpd,Compound,CCCCC(=O)O,NQPDZGIKBAWPEJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
7997,Propyl acetate,OtherMutliCpd,Compound,CCCOC(=O)C,YKYONYBAUNKHLG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8007,Butylamine,OtherMutliCpd,Compound,CCCCN,HQABUPZFAYXKJW-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
8025,ETHYL FORMATE,OtherMutliCpd,Compound,CCOC=O,WBJINCZRORDGAQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8026,ETHYL NITRITE,OtherMutliCpd,Compound,CCON=O,QQZWEECEMNQSTG-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Organic nitroso compounds,Organic O-nitroso compounds,none,none,none,none,none,none
8027,PYRROLE,OtherMutliCpd,Compound,C1=CNC=C1,KAESVJOAVNADME-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
8034,5-METHYL-2-HEXANONE,OtherMutliCpd,Compound,CC(C)CCC(=O)C,FFWSICBKRCICMR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
8038,ISOBUTYL ACETATE,OtherMutliCpd,Compound,CC(C)COC(=O)C,GJRQTCIYDGXPES-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8042,ISOPROPYL MYRISTATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC(C)C,AXISYYRBXTVTFY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8048,ETHYL DECANOATE,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCC,RGXWDWUGBIJHDO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8049,DIETHYL SEBACATE,OtherMutliCpd,Compound,CCOC(=O)CCCCCCCCC(=O)OCC,ONKUXPIBXRRIDU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8050,METHYL DECANOATE,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OC,YRHYCMZPEVDGFQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
8051,2-HEPTANONE,OtherMutliCpd,Compound,CCCCCC(=O)C,CATSNJVOTSVZJV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
8052,Isopentyl formate,OtherMutliCpd,Compound,CC(C)CCOC=O,XKYICAQFSCFURC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8053,ISOAMYL NITRITE,Drug,Compound,CC(C)CCON=O,OWFXIOWLTKNBAP-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Organic nitroso compounds,Organic O-nitroso compounds,none,none,none,none,none,none
8060,Amylamine,OtherMutliCpd,Compound,CCCCCN,DPBLXKKOBLCELK-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
8063,PENTANAL,OtherMutliCpd,Compound,CCCCC=O,HGBOYTHUEUWSSQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
8073,PROPYL FORMATE,OtherMutliCpd,Compound,CCCOC=O,KFNNIILCVOLYIR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8076,2-Ethoxyethanol,OtherMutliCpd,Compound,CCOCCO,ZNQVEEAIQZEUHB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
8083,MORPHOLINE,OtherMutliCpd,Compound,C1COCCN1,YNAVUWVOSKDBBP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxazinanes,Morpholines,Morpholines,none,none,none,none,none,none
8090,BUTYL PALMITATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCCCC,GLYJVQDYLFAUFC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8091,Methyl octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)OC,JGHZJRVDZXSNKQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
8092,Methyl 2-octynoate,OtherMutliCpd,Compound,CCCCCC#CC(=O)OC,FRLZQXRXIKQFNS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8093,Octan-2-one,OtherMutliCpd,Compound,CCCCCCC(=O)C,ZPVFWPFBNIEHGJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
8094,HEPTANOIC ACID,OtherMutliCpd,Compound,CCCCCCC(=O)O,MNWFXJYAOYHMED-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
8096,"3	3'-Thiodipropionic acid",OtherMutliCpd,Compound,C(CSCCC(=O)O)C(=O)O,ODJQKYXPKWQWNK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
8102,Hexylamine,OtherMutliCpd,Compound,CCCCCCN,BMVXCPBXGZKUPN-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
8103,1-Hexanol,OtherMutliCpd,Compound,CCCCCCO,ZSIAUFGUXNUGDI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
8113,DIETHANOLAMINE,OtherMutliCpd,Compound,C(CO)NCCO,ZBCBWPMODOFKDW-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
8122,ETHYL STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC,MVLVMROFTAUDAG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8129,1-HEPTANOL,OtherMutliCpd,Compound,CCCCCCCO,BBMCTIGTTCKYKF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
8130,Heptanal,OtherMutliCpd,Compound,CCCCCCC=O,FXHGMKSSBGDXIY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
8133,2-Butoxyethanol,OtherMutliCpd,Compound,CCCCOCCO,POAOYUHQDCAZBD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
8137,Methyl 2-nonynoate,OtherMutliCpd,Compound,CCCCCCC#CC(=O)OC,NTLJTUMJJWVCTL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8139,Methyl laurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OC,UQDUPQYQJKYHQI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
8158,NONANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCC(=O)O,FBUKVWPVBMHYJY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
8163,2-Undecanone,OtherMutliCpd,Compound,CCCCCCCCCC(=O)C,KYWIYKKSMDLRDC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
8174,1-DECANOL,OtherMutliCpd,Compound,CCCCCCCCCCO,MWKFXSUHUHTGQN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
8175,Decanal,OtherMutliCpd,Compound,CCCCCCCCCC=O,KSMVZQYAVGTKIV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
8180,UNDECANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCC(=O)O,ZDPHROOEEOARMN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
8181,METHYL PALMITATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC,FLIACVVOZYBSBS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
8184,1-UNDECANOL,OtherMutliCpd,Compound,CCCCCCCCCCCO,KJIOQYGWTQBHNH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
8186,UNDECANAL,OtherMutliCpd,Compound,CCCCCCCCCCC=O,KMPQYAYAQWNLME-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
8187,10-Undecenal,OtherMutliCpd,Compound,C=CCCCCCCCCC=O,OFHHDSQXFXLTKC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
8193,1-DODECANOL,OtherMutliCpd,Compound,CCCCCCCCCCCCO,LQZZUXJYWNFBMV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
8194,DODECANAL,OtherMutliCpd,Compound,CCCCCCCCCCCC=O,HFJRKMMYBMWEAD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
8201,METHYL STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC,HPEUJPJOZXNMSJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
8207,1-TRIDECANOL,OtherMutliCpd,Compound,CCCCCCCCCCCCCO,XFRVVPUIAFSTFO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
8209,1-TETRADECANOL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCO,HLZKNKRTKFSKGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
8215,Docosanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O,UKMSUNONTOPOIO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
8221,Octadecan-1-ol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCO,GLDOVTGHNKAZLK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
8226,methylergonovine,Drug,Compound,CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,UNBRKDKAWYKMIV-QWQRMKEZSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Lysergic acids and derivatives,Lysergamides,none,none,none,none,none,none
8230,Argipressina [DCIT],Drug,Compound,C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,KBZOIRJILGZLEJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
8271,Mephobarbital,Drug,Compound,CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2,ALARQZQTBTVLJV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,Barbituric acid derivatives,none,none,none,none,none
8298,"3	3	5-TRIMETHYLCYCLOHEXANOL",OtherMutliCpd,Compound,CC1CC(CC(C1)(C)C)O,BRRVXFOKWJKTGG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
8299,Hydroxyacetone,OtherMutliCpd,Compound,CC(=O)CO,XLSMFKSTNGKWQX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-hydroxy ketones,none,none,none,none,none
8313,Dicloralurea,OtherMutliCpd,Compound,C(C(Cl)(Cl)Cl)(NC(=O)NC(C(Cl)(Cl)Cl)O)O,PPJXIHLNYDVTDI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,Ureas,Ureas,none,none,none,none,none,none
8314,2-Methylbutanoic acid,OtherMutliCpd,Compound,CCC(C)C(=O)O,WLAMNBDJUVNPJU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
8357,"3	4	5-TRIMETHOXYBENZOIC ACID",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)C(=O)O,SJSOFNCYXJUNBT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
8361,Phenyl salicylate,OtherMutliCpd,Compound,C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O,ZQBAKBUEJOMQEX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
8363,BENZYL SALICYLATE,OtherMutliCpd,Compound,C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O,ZCTQGTTXIYCGGC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
8365,Ethyl salicylate,OtherMutliCpd,Compound,CCOC(=O)C1=CC=CC=C1O,GYCKQBWUSACYIF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
8369,MALTOL,OtherMutliCpd,Compound,CC1=C(C(=O)C=CO1)O,XPCTZQVDEJYUGT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrans,Pyranones and derivatives,Pyranones and derivatives,none,none,none,none,none,none
8375,2'-Hydroxyacetophenone,OtherMutliCpd,Compound,CC(=O)C1=CC=CC=C1O,JECYUBVRTQDVAT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
8400,BENZOIN,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,ISAOCJYIOMOJEB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Benzoins,Benzoins,none,none,none,none,none,none
8405,ISOQUINOLINE,OtherMutliCpd,Compound,C1=CC=C2C=NC=CC2=C1,AWJUIBRHMBBTKR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,none,Isoquinolines and derivatives,none,none,none,none,none,none
8417,Scoparone,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CC(=O)O2)OC,GUAFOGOEJLSQBT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
8418,ANTHRACENE,OtherMutliCpd,Compound,C1=CC=C2C=C3C=CC=CC3=CC2=C1,MWPLVEDNUUSJAV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
8419,"3	4-Dimethoxybenzaldehyde",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C=O)OC,WJUFSDZVCOTFON-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
8422,2-Naphthoxyacetic acid,OtherMutliCpd,Compound,C1=CC=C2C=C(C=CC2=C1)OCC(=O)O,RZCJYMOBWVJQGV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
8430,"N	N-Bis(2-hydroxyethyl)dodecanamide",OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)N(CCO)CCO,AOMUHOFOVNGZAN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,N-acyl amines,none,none,none,none,none,none
8432,1-Phenylethyl propionate,OtherMutliCpd,Compound,CCC(=O)OC(C)C1=CC=CC=C1,WCIQNYOXLZQQMU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
8434,Ethylparaben,OtherMutliCpd,Compound,CCOC(=O)C1=CC=C(C=C1)O,NUVBSKCKDOMJSU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
8438,PIPERONAL,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)C=O,SATCULPHIDQDRE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
8449,"2	4-DICHLOROPHENOL",OtherMutliCpd,Compound,C1=CC(=C(C=C1Cl)Cl)O,HFZWRUODUSTPEG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
8452,CYCLOPENTANONE,OtherMutliCpd,Compound,C1CCC(=O)C1,BGTOWKSIORTVQH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
8467,3-Ethoxy-4-hydroxybenzaldehyde,OtherMutliCpd,Compound,CCOC1=C(C=CC(=C1)C=O)O,CBOQJANXLMLOSS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,Benzaldehydes,Hydroxybenzaldehydes,none,none,none
8468,Vanillic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(=O)O)O,WKOLLVMJNQIZCI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,M-methoxybenzoic acids and derivatives,none,none,none,none,none
8469,Ethyl 3-phenylglycidate,OtherMutliCpd,Compound,CCOC(=O)C1C(O1)C2=CC=CC=C2,GOMAKLPNAAZVCJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,Oxirane carboxylic acids and derivatives,Oxirane carboxylic acids,none,none,none,none,none,none
8488,"N	N-Dimethyl-m-toluidine",OtherMutliCpd,Compound,CC1=CC(=CC=C1)N(C)C,CWOMTHDOJCARBY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Aminotoluenes,none,none,none,none,none,none
8499,METHYL 4-METHOXYBENZOATE,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(=O)OC,DDIZAANNODHTRB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
8500,4'-Methylacetophenone,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(=O)C,GNKZMNRKLCTJAY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
8530,"1	4-NAPHTHOQUINONE",OtherMutliCpd,Compound,C1=CC=C2C(=O)C=CC(=O)C2=C1,FRASJONUBLZVQX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
8549,Quinine,Drug,Compound,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O,LOUPRKONTZGTKE-VOMFEXJBSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
8555,Kappadione,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+],GZBACHSOZNEZOG-UHFFFAOYSA-J,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
8556,UNII-GRL65FEU3T,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)OP(=O)(O)O)OP(=O)(O)O,JTNHOVZOOVVGHI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
8564,NARCEINE,OtherMutliCpd,Compound,CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2,DEXMFYZAHXMZNM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
8575,MONOBUTYL PHTHALATE,OtherMutliCpd,Compound,CCCCOC(=O)C1=CC=CC=C1C(=O)O,YZBOVSFWWNVKRJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
8582,Inosinic acid,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,GRSZFWQUAKGDAV-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
8583,inosine triphosphate,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,HAEJPQIATWHALX-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside triphosphates,none,none,none,none,none,none
8607,Folpet,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,HKIOYBQGHSTUDB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoindoles and derivatives,Isoindolines,Isoindolones,Phthalimides,none,none,none,none,none
8612,CHLOROPROCAINE,Drug,Compound,CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl,VDANGULDQQJODZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
8615,PHENETHYL ANTHRANILATE,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N,PXWNBAGCFUDYBE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
8616,Peucedanin,OtherMutliCpd,Compound,CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC,YQBNJPACAUPNLV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
8617,Indole-3-butyric acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O,JTEDVYBZBROSJT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
8635,METHYL ANTHRANILATE,OtherMutliCpd,Compound,COC(=O)C1=CC=CC=C1N,VAMXMNNIEUEQDV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
8655,SYRINGALDEHYDE,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C=O,KCDXJAYRVLXPFO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
8658,2-METHOXYBENZALDEHYDE,OtherMutliCpd,Compound,COC1=CC=CC=C1C=O,PKZJLOCLABXVMC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
8663,2-NAPHTHOL,OtherMutliCpd,Compound,C1=CC=C2C=C(C=CC2=C1)O,JWAZRIHNYRIHIV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
8679,N-Phenyl-2-naphthylamine,OtherMutliCpd,Compound,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,KEQFTVQCIQJIQW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
8697,2-ETHYLHEXANOIC ACID,OtherMutliCpd,Compound,CCCCC(CC)C(=O)O,OBETXYAYXDNJHR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
8698,BUTYL BENZOATE,OtherMutliCpd,Compound,CCCCOC(=O)C1=CC=CC=C1,XSIFPSYPOVKYCO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
8712,2-Methylbenzenethiol,OtherMutliCpd,Compound,CC1=CC=CC=C1S,LXUNZSDDXMPKLP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Thiophenols,none,Thiophenols,none,none,none,none,none,none
8723,2-METHYL-1-BUTANOL,OtherMutliCpd,Compound,CCC(C)CO,QPRQEDXDYOZYLA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
8737,2-Aminopentanedioic acid hydrochloride,OtherMutliCpd,Compound,C(CC(=O)O)C(C(=O)O)N.Cl,RPAJSBKBKSSMLJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
8738,BUTYL LACTATE,OtherMutliCpd,Compound,CCCCOC(=O)C(C)O,MRABAEUHTLLEML-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8742,shikimic acid,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,JXOHGGNKMLTUBP-HSUXUTPPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Shikimic acids and derivatves,none,none,none,none
8761,Bicine,OtherMutliCpd,Compound,C(CO)N(CCO)CC(=O)O,FSVCELGFZIQNCK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
8763,TRIPROPIONIN,OtherMutliCpd,Compound,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,YZWRNSARCRTXDS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
8767,Citronellyl phenylacetate,OtherMutliCpd,Compound,CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1,CVJBFMVLVJZZMM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
8784,"2-Propenoic acid	 3-phenyl-",Drug,Compound,C1=CC=C(C=C1)C=CC(=O)O,WBYWAXJHAXSJNI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acids,Cinnamic acids,none,none,none,none,none,none
8785,BENZYL ACETATE,OtherMutliCpd,Compound,CC(=O)OCC1=CC=CC=C1,QUKGYYKBILRGFE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
8792,Phenylethyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OCCC1=CC=CC=C1,JIMGVOCOYZFDKB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8794,Phenylacetonitrile,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC#N,SUSQOBVLVYHIEX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl cyanides,Benzyl cyanides,none,none,none,none,none,none
8797,p-Tolyl acetate,OtherMutliCpd,Compound,CC1=CC=C(C=C1)OC(=O)C,CDJJKTLOZJAGIZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
8814,4-tert-Octylphenol,OtherMutliCpd,Compound,CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O,ISAVYTVYFVQUDY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
8815,Estragole,OtherMutliCpd,Compound,COC1=CC=C(C=C1)CC=C,ZFMSMUAANRJZFM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
8831,DIISOBUTYL ADIPATE,OtherMutliCpd,Compound,CC(C)COC(=O)CCCCC(=O)OCC(C)C,RDOFJDLLWVCMRU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8842,Citronellol,OtherMutliCpd,Compound,CC(CCC=C(C)C)CCO,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
8856,3-IODOPROPIONIC ACID,OtherMutliCpd,Compound,C(CI)C(=O)O,KMRNTNDWADEIIX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
8857,ETHYL ACETATE,OtherMutliCpd,Compound,CCOC(=O)C,XEKOWRVHYACXOJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8868,ethyl acetoacetate,OtherMutliCpd,Compound,CCOC(=O)CC(=O)C,XYIBRDXRRQCHLP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
8892,HEXANOIC ACID,OtherMutliCpd,Compound,CCCCCC(=O)O,FUZZWVXGSFPDMH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
8897,IMINODIACETIC ACID,OtherMutliCpd,Compound,C(C(=O)O)NCC(=O)O,NBZBKCUXIYYUSX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
8902,DIPROPYLAMINE,OtherMutliCpd,Compound,CCCNCCC,WEHWNAOGRSTTBQ-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Secondary amines,Dialkylamines,none,none,none,none,none
8907,ISOPROPYL PALMITATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC(C)C,XUGNVMKQXJXZCD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
8908,Hexyl acetate,OtherMutliCpd,Compound,CCCCCCOC(=O)C,AOGQPLXWSUTHQB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
8914,1-Nonanol,OtherMutliCpd,Compound,CCCCCCCCCO,ZWRUINPWMLAQRD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
8950,Disodium citrate,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Na+].[Na+],CEYULKASIQJZGP-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
8977,GUANOSINE DIPHOSPHATE,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N,QGWNDRXFNXRZMB-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside diphosphates,none,none,none,none,none,none
8988,D-proline,OtherMutliCpd,Compound,C1C[C@@H](NC1)C(=O)O,ONIBWKKTOPOVIA-SCSAIBSYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
9001,TIRON,OtherMutliCpd,Compound,C1=C(C=C(C(=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+],ISWQCIVKKSOKNN-UHFFFAOYSA-L,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Benzenesulfonic acids and derivatives,none,none,none,none,none,none
9003,Buscapine,Drug,Compound,CCCC[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-],HOZOZZFCZRXYEK-GXLSIKBRSA-M,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
9012,Dibenzyl disulfide,OtherMutliCpd,Compound,C1=CC=C(C=C1)CSSCC2=CC=CC=C2,GVPWHKZIJBODOX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
9013,Dulcin,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)NC(=O)N,GGLIEWRLXDLBBF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,N-phenylureas,N-phenylureas,none,none,none,none,none,none
9015,4-Methoxyphenol,OtherMutliCpd,Compound,COC1=CC=C(C=C1)O,NWVVVBRKAWDGAB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
9016,"1	4-Dimethoxybenzene",OtherMutliCpd,Compound,COC1=CC=C(C=C1)OC,OHBQPCCCRFSCAX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
9020,Disodium succinate,OtherMutliCpd,Compound,C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+],ZDQYSKICYIVCPN-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
9024,Dimethylbenzylcarbinyl acetate,OtherMutliCpd,Compound,CC(=O)OC(C)(C)CC1=CC=CC=C1,FLUWAIIVLCVEKF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
9025,"1	3-Dimethoxybenzene",OtherMutliCpd,Compound,COC1=CC(=CC=C1)OC,DPZNOMCNRMUKPS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
9060,D-Tryptophan,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N,QIVBCDIJIAJPQS-SECBINFHSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
9061,5-Hydroxytryptophol,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=CN2)CCO,KQROHCSYOGBQGJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
9064,Cianidanol,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,PFTAWBLQPZVEMU-DZGCQCFKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
9081,Hypoglycine,OtherMutliCpd,Compound,C=C1CC1CC(C(=O)O)N,OOJZCXFXPZGUBJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
9085,L-Homoarginine,OtherMutliCpd,Compound,C(CCN=C(N)N)C[C@@H](C(=O)O)N,QUOGESRFPZDMMT-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
9086,3-Aminopropanol,OtherMutliCpd,Compound,C(CN)CO,WUGQZFFCHPXWKQ-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--3-aminoalcohols,none,none,none,none,none
9223,BENZOFURAN,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CO2,IANQTJSKSUMEQM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
9228,BENZOXAZOLE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)N=CO2,BCMCBBGGLRIHSE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazoles,none,Benzoxazoles,none,none,none,none,none,none
9231,azulene,OtherMutliCpd,Compound,C1=CC=C2C=CC=C2C=C1,CUFNKYGDVFVPHO-UHFFFAOYSA-N,Organic compounds,Hydrocarbons,Unsaturated hydrocarbons,Olefins,Cyclic olefins,Azulenes,none,none,none,none,none
9290,CALCIUM GLUCONATE,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2],NEEHYRZPVYRGPP-IYEMJOQQSA-L,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
9291,Iromin,OtherMutliCpd,Compound,C([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O.C([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O.[Fe],QDUZQOIJXPPTLY-GMBKLUGCSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
9294,Ephedrine,Drug,Compound,C[C@@H]([C@@H](C1=CC=CC=C1)O)NC,KWGRBVOPPLSCSI-WPRPVWTQSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
9305,"3	5-Diiodo-L-tyrosine",OtherMutliCpd,Compound,C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N,NYPYHUZRZVSYKL-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
9374,5-[(aminooxy)methyl]-2-bromophenyl dihydrogen phosphate,OtherMutliCpd,Compound,C1=CC(=C(C=C1CON)OP(=O)(O)O)Br,WXTCJRIXRVJTPP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Aryl phosphates,Aryl phosphomonoesters,Phenyl phosphates,none,none,none,none
9378,2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)O)O)O,JVGVDSSUAVXRDY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
9394,Benzoquinonium,OtherMutliCpd,Compound,CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3,YERABYSOHUZTPQ-UHFFFAOYSA-P,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
9395,PARAOXON,OtherMutliCpd,Compound,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],WYMSBXTXOHUIGT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrobenzenes,none,none,none,none,none,none
9416,testosterone enanthate,OtherMutliCpd,Compound,CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,VOCBWIIFXDYGNZ-IXKNJLPQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
9433,aminophylline,Drug,Compound,CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N,FQPFAHBPWDRTLU-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
9473,PIPERONYL ACETATE,OtherMutliCpd,Compound,CC(=O)OCC1=CC2=C(C=C1)OCO2,PFWYHTORQZAGCA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
9589,3-ACETYLPYRIDINE,OtherMutliCpd,Compound,CC(=O)C1=CN=CC=C1,WEGYGNROSJDEIW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
9642,fluocinonide,Drug,Compound,CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C,WJOHZNCJWYWUJD-IUGZLZTKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
9651,galanthamine,Drug,Compound,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O,ASUTZQLVASHGKV-JDFRZJQESA-N,Organic compounds,Alkaloids and derivatives,Amaryllidaceae alkaloids,Galanthamine-type amaryllidaceae alkaloids,Galanthamine-type amaryllidaceae alkaloids,none,none,none,none,none,none
9681,methysergide,Drug,Compound,CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C,KPJZHOPZRAFDTN-ZRGWGRIASA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Lysergic acids and derivatives,Lysergamides,none,none,none,none,none,none
9692,KYNURAMINE,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)CCN)N,QLPVTIQQFGWSQQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
9700,5'-Thymidylic acid,OtherMutliCpd,Compound,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,GYOZYWVXFNDGLU-XLPZGREQSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine deoxyribonucleotides,Pyrimidine deoxyribonucleoside monophosphates,Pyrimidine 2'-deoxyribonucleoside monophosphates,none,none,none,none,none
9727,N-Methyltyramine,OtherMutliCpd,Compound,CNCCC1=CC=C(C=C1)O,AXVZFRBSCNEKPQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Phenethylamines,none,none,none,none,none,none
9750,L-citrulline,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)N)CNC(=O)N,RHGKLRLOHDJJDR-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
9782,betamethasone,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,UREBDLICKHMUKA-DVTGEIKXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
9878,fluorometholone,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O,FAOZLTXFLGPHNG-KNAQIMQKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
9895,beta-Cyclocitral,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)C=O,MOQGCGNUWBPGTQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
9904,nandrolone,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34,NPAGDVCDWIYMMC-IZPLOLCNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
9958,4-Methylcatechol,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)O)O,ZBCATMYQYDCTIZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
10006,HYDANTOIN,OtherMutliCpd,Compound,C1C(=O)NC(=O)N1,WJRBRSLFGCUECM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Imidazoles,Imidazoles,none,none,none,none,none,none
10010,DL-Homocystine,OtherMutliCpd,Compound,C(CSSCCC(C(=O)O)N)C(C(=O)O)N,ZTVZLYBCZNMWCF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
10110,PROPIOLIC ACID,OtherMutliCpd,Compound,C#CC(=O)O,UORVCLMRJXCDCP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
10132,Ketomalonic acid,OtherMutliCpd,Compound,C(=O)(C(=O)O)C(=O)O,XEEVLJKYYUVTRC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
10133,chenodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,RUDATBOHQWOJDD-BSWAIDMHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
10144,Liriodenine,OtherMutliCpd,Compound,C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53,MUMCCPUVOAUBAN-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
10168,Rhein,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O,FCDLCPWAQCPTKC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
10185,dihydroquercetin,OtherMutliCpd,Compound,C1=CC(=C(C=C1[C@@H]2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,CXQWRCVTCMQVQX-YSSOQSIOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,Flavanonols,none,none,none,none,none
10189,Eugenin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C=C(C=C2O1)OC)O,SUTUBQHKZRNZRA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
10204,Epitestosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,MUMGGOZAMZWBJJ-KZYORJDKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
10205,Plumbagin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C1=O)C=CC=C2O,VCMMXZQDRFWYSE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
10207,Aloe-emodin,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O,YDQWDHRMZQUTBA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
10208,Chrysophanol,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O,LQGUBLBATBMXHT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
10211,Byakangelicin,OtherMutliCpd,Compound,CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O,PKRPFNXROFUNDE-LLVKDONJSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
10212,IMPERATORIN,OtherMutliCpd,Compound,CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C,OLOOJGVNMBJLLR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
10214,PAPS,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O,GACDQMDRPRGCTN-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside bisphosphates,Purine ribonucleoside 3'--5'-bisphosphates,none,none,none,none,none
10225,CADALENE,OtherMutliCpd,Compound,CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C,VMOJIHDTVZTGDO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
10228,Osthole,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C,MBRLOUHOWLUMFF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
10231,Dillapiole,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1CC=C)OCO2)OC,LIKYNOPXHGPMIH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
10233,Reticuline,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC,BHLYRWXGMIUIHG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
10238,Adenylyl sulfate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)O)O,IRLPACMLTUPBCL-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
10239,Oxycinchophen,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O,XAPRFLSJBSXESP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Phenylquinolines,Phenylquinolines,none,none,none,none,none,none
10248,Elemicin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)CC=C,BPLQKQKXWHCZSS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
10253,Salicyluric acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)NCC(=O)O)O,ONJSZLXSECQROL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
10254,"2	4	6-TRIMETHYLBENZALDEHYDE",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)C)C=O)C,HIKRJHFHGKZKRI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
10256,INDOLE-3-CARBOXALDEHYDE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C=O,OLNJUISKUQQNIM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
10258,Indoxyl sulfate,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O,BXFFHSIDQOFMLE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Arylsulfates,none,none,none,none,none,none
10268,3-FUROIC ACID,OtherMutliCpd,Compound,C1=COC=C1C(=O)O,IHCCAYCGZOLTEU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acids,none,none,none,none,none,none
10279,"2'	5'-DIHYDROXYACETOPHENONE",OtherMutliCpd,Compound,CC(=O)C1=C(C=CC(=C1)O)O,WLDWSGZHNBANIO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10282,Piperitol,OtherMutliCpd,Compound,CC1=CC(C(CC1)C(C)C)O,HPOHAUWWDDPHRS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
10285,Lepidine,OtherMutliCpd,Compound,CC1=CC=NC2=CC=CC=C12,MUDSDYNRBDKLGK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
10286,CHROMONE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C=CO2,OTAFHZMPRISVEM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
10296,2-Phenylpropionic acid,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)C(=O)O,YPGCWEMNNLXISK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
10315,BUTYROPHENONE,OtherMutliCpd,Compound,CCCC(=O)C1=CC=CC=C1,FFSAXUULYPJSKH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10321,Capillin,OtherMutliCpd,Compound,CC#CC#CC(=O)C1=CC=CC=C1,RAZOKRUZEQERLH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
10349,2-Methylsuccinic acid,OtherMutliCpd,Compound,CC(CC(=O)O)C(=O)O,WXUAQHNMJWJLTG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
10353,p-MENTHAN-8-OL,OtherMutliCpd,Compound,CC1CCC(CC1)C(C)(C)O,UODXCYZDMHPIJE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
10362,Carvomenthone,OtherMutliCpd,Compound,CC1CCC(CC1=O)C(C)C,GCRTVIUGJCJVDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
10364,CARVACROL,OtherMutliCpd,Compound,CC1=C(C=C(C=C1)C(C)C)O,RECUKUPTGUEGMW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
10367,"2	6-Pyridinedicarboxylic acid",OtherMutliCpd,Compound,C1=CC(=NC(=C1)C(=O)O)C(=O)O,WJJMNDUMQPNECX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
10393,2-(4-Hydroxyphenyl)ethanol,OtherMutliCpd,Compound,C1=CC(=CC=C1CCO)O,YCCILVSKPBXVIP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols,none,none,none,none,none,none
10394,3-(4-Hydroxyphenyl)propionic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1CCC(=O)O)O,NMHMNPHRMNGLLB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
10402,Citronellic acid,OtherMutliCpd,Compound,CC(CCC=C(C)C)CC(=O)O,GJWSUKYXUMVMGX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
10413,4-Hydroxybutyric acid,Drug,Compound,C(CC(=O)O)CO,SJZRECIVHVDYJC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
10430,ISOVALERIC ACID,OtherMutliCpd,Compound,CC(C)CC(=O)O,GWYFCOCPABKNJV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
10448,3-methylthiopropanol,OtherMutliCpd,Compound,CSCCCO,CZUGFKJYCPYHHV-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Dialkylthioethers,Dialkylthioethers,none,none,none,none,none,none
10457,Octanedioic acid,OtherMutliCpd,Compound,C(CCCC(=O)O)CCC(=O)O,TYFQFVWCELRYAO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
10458,TRIDECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCCC(=O)O)CCCCCC(=O)O,DXNCZXXFRKPEPY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
10459,HEXADECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCCCCC(=O)O)CCCCCCC(=O)O,QQHJDPROMQRDLA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
10465,HEPTADECANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(=O)O,KEMQGTRYUADPNZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
10467,Arachidic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O,VKOBVWXKNCXXDE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
10468,PENTACOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,MWMPEAHGUXCSMY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
10469,HEXACOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,XMHIUKTWLZUKEX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
10470,OCTACOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
10471,TRIACONTANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,VHOCUJPBKOZGJD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
10484,THIOACETIC ACID,OtherMutliCpd,Compound,CC(=O)S,DUYAAUVXQSMXQP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carbothioic S-acids,none,Carbothioic S-acids,none,none,none,none,none,none
10494,OLEANOLIC ACID,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O,MIJYXULNPSFWEK-GTOFXWBISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
10503,Erysimotoxin,OtherMutliCpd,Compound,CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O,QBILRDAMJUPXCX-OZJKNARASA-N,none,none,none,none,none,none,none,none,none,none,none
10531,dihydroergotamine,Drug,Compound,C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C,LUZRJRNZXALNLM-JGRZULCMSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Lysergic acids and derivatives,Ergopeptines,Ergotamines-- dihydroergotamines-- and derivatives,none,none,none,none,none
10550,Thujyl alcohol,OtherMutliCpd,Compound,CC1C2CC2(CC1O)C(C)C,DZVXRFMREAADPP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
10582,Myrtenol,OtherMutliCpd,Compound,CC1(C2CC=C(C1C2)CO)C,RXBQNMWIQKOSCS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
10586,Bisabolol,OtherMutliCpd,Compound,CC1=CCC(CC1)C(C)(CCC=C(C)C)O,RGZSQWQPBWRIAQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
10607,podophyllotoxin,Drug,Compound,COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O,YJGVMLPVUAXIQN-XVVDYKMHSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan lactones,Podophyllotoxins,Podophyllotoxins,none,none,none,none,none,none
10631,medroxyprogesterone,Drug,Compound,C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,FRQMUZJSZHZSGN-HBNHAYAOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
10634,Androstenediol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C,QADHLRWLCPCEKT-LOVVWNRFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
10635,STANOLONE,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,NVKAWKQGWWIWPM-ABEVXSGRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
10639,Physcion,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O,FFWOKTFYGVYKIR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
10643,Auranetin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC,DGNOHOXRWCCDLK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
10658,Angelicin,OtherMutliCpd,Compound,C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3,XDROKJSWHURZGO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
10659,Apiole,OtherMutliCpd,Compound,COC1=C2C(=C(C(=C1)CC=C)OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
10663,omega-Carboxyacyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,LTYOQGRJFJAKNA-VFLPNFFSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
10680,FLAVONE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
10685,Tryptophol,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CCO,MBBOMCVGYCRMEA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10686,"1	2	3-TRIMETHYLBENZENE",OtherMutliCpd,Compound,CC1=C(C(=CC=C1)C)C,FYGHSUNMUKGBRK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
10687,"2	3-DIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=C(C(=CC=C1)O)C,QWBBPBRQALCEIZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Ortho cresols,none,none,none,none,none,none
10692,Copper gluconate,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Cu+2],OCUCCJIRFHNWBP-IYEMJOQQSA-L,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
10698,"2	4	6-TRIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)C)O)C,BPRYUXCVCCNUFE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
10703,O-CYMENE,OtherMutliCpd,Compound,CC1=CC=CC=C1C(C)C,WWRCMNKATXZARA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
10712,cellobiose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,GUBGYTABKSRVRQ-QRZGKKJRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
10719,Chamazulene,OtherMutliCpd,Compound,CCC1=CC2=C(C=CC2=C(C=C1)C)C,GXGJIOMUZAGVEH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
10722,2-Methylbenzaldehyde,OtherMutliCpd,Compound,CC1=CC=CC=C1C=O,BTFQKIATRPGRBS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
10729,Isoxanthopterin,OtherMutliCpd,Compound,C1=NC2=C(NC1=O)NC(=NC2=O)N,GLKCOBIIZKYKFN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pterins and derivatives,none,none,none,none,none,none
10742,SYRINGIC ACID,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C(=O)O,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
10748,7-Methoxycoumarin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C=CC(=O)O2,LIIALPBMIOVAHH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
10758,Mandelonitrile,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C#N)O,NNICRUQPODTGRU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
10762,thiamine nitrate,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-],UIERGBJEBXXIGO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,none,none,none,none,none,none
10772,Coixol,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)NC(=O)O2,MKMCJLMBVKHUMS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazoles,Benzoxazolones,Benzoxazolones,none,none,none,none,none,none
10778,o-Tolyl acetate,OtherMutliCpd,Compound,CC1=CC=CC=C1OC(=O)C,AMZORBZSQRUXNC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
10797,2-METHYLFURAN,OtherMutliCpd,Compound,CC1=CC=CO1,VQKFNUFAXTZWDK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
10805,Vanylglycol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(CO)O)O,FBWPWWWZWKPJFL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
10812,M-CYMENE,OtherMutliCpd,Compound,CC1=CC(=CC=C1)C(C)C,XCYJPXQACVEIOS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
10817,1-(4-Methylphenyl)ethanol,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)O,JESIHYIJKKUWIS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
10819,Perilla alcohol,OtherMutliCpd,Compound,CC(=C)C1CCC(=CC1)CO,NDTYTMIUWGWIMO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
10820,4-Isopropylbenzoic acid,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)C(=O)O,CKMXAIVXVKGGFM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
10823,3-ETHYLPYRIDINE,OtherMutliCpd,Compound,CCC1=CN=CC=C1,MFEIKQPHQINPRI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
10825,Carinamide,OtherMutliCpd,Compound,C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)O,ZOFLWJXPXAHZLI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Sulfanilides,Sulfanilides,none,none,none,none,none,none
10833,"3	5-DIBROMOTYROSINE",OtherMutliCpd,Compound,C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N,COESHZUDRKCEPA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
10836,METHAMPHETAMINE,Drug,Compound,C[C@@H](CC1=CC=CC=C1)NC,MYWUZJCMWCOHBA-VIFPVBQESA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
10850,Tricaprylin,OtherMutliCpd,Compound,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,VLPFTAMPNXLGLX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
10851,TRILAURIN,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,VMPHSYLJUKZBJJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
10873,(Ethoxymethyl)benzene,OtherMutliCpd,Compound,CCOCC1=CC=CC=C1,AXPZDYVDTMMLNB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
10874,3-Butylpyridine,OtherMutliCpd,Compound,CCCCC1=CN=CC=C1,QSNMFWFDOFQASV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
10882,Ethyl pentanoate,OtherMutliCpd,Compound,CCCCC(=O)OCC,ICMAFTSLXCXHRK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
10883,ETHYL LEVULINATE,OtherMutliCpd,Compound,CCOC(=O)CCC(=O)C,GMEONFUTDYJSNV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
10885,Isobutyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCC(C)C,RGFNRWTWDWVHDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
10886,PENTYL HEXANOATE,OtherMutliCpd,Compound,CCCCCC(=O)OCCCCC,WRFZKAGPPQGDDQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
10890,PENTYL BUTYRATE,OtherMutliCpd,Compound,CCCCCOC(=O)CCC,CFNJLPHOBMVMNS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
10895,Isobutyl propionate,OtherMutliCpd,Compound,CCC(=O)OCC(C)C,FZXRXKLUIMKDEL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
10917,L-carnitine,Drug,Compound,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,PHIQHXFUZVPYII-ZCFIWIBFSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Carnitines,none,none,none,none,none,none
10927,Butyramide,OtherMutliCpd,Compound,CCCC(=O)N,DNSISZSEWVHGLH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,Fatty amides,none,none,none,none,none,none
10932,3-Aminobutanoic acid,OtherMutliCpd,Compound,CC(CC(=O)O)N,OQEBBZSWEGYTPG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
10947,Muscone,OtherMutliCpd,Compound,CC1CCCCCCCCCCCCC(=O)C1,ALHUZKCOMYUFRB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
10957,ISOBUTYL FORMATE,OtherMutliCpd,Compound,CC(C)COC=O,AVMSWPWPYJVYKY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
10972,N-ACETYLGLYCINE,OtherMutliCpd,Compound,CC(=O)NCC(=O)O,OKJIRPAQVSHGFK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
10976,2-HEPTANOL,OtherMutliCpd,Compound,CCCCCC(C)O,CETWDUZRCINIHU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
10996,Butyl nitrite,OtherMutliCpd,Compound,CCCCON=O,JQJPBYFTQAANLE-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Organic nitroso compounds,Organic O-nitroso compounds,none,none,none,none,none,none
11004,Agrocybin,OtherMutliCpd,Compound,C(C#CC#CC#CC(=O)N)O,OXONWCQUZYDTNF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Primary carboxylic acid amides,none,none,none,none,none
11005,Tetradecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O,TUNFSRHWOTWDNC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
11039,METHYL ISOBUTYRATE,OtherMutliCpd,Compound,CC(C)C(=O)OC,BHIWKHZACMWKOJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Methyl esters,none,none,none,none,none
11056,Polyporic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O,HZKFHDXTSAYOSN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,Quinones,Benzoquinones,P-benzoquinones,none,none
11086,2'-Aminoacetophenone,OtherMutliCpd,Compound,CC(=O)C1=CC=CC=C1N,GTDQGKWDWVUKTI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11092,PAEONOL,OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1)OC)O,UILPJVPSNHJFIK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11103,HEMATOPORPHYRIN,OtherMutliCpd,Compound,CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O,KFKRXESVMDBTNQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
11118,5-Nitro-2-propoxyaniline,OtherMutliCpd,Compound,CCCOC1=C(C=C(C=C1)[N+](=O)[O-])N,RXQCEGOUSFBKPI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrophenyl ethers,none,none,none,none,none,none
11124,METHYL PROPIONATE,OtherMutliCpd,Compound,CCC(=O)OC,RJUFJBKOKNCXHH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Methyl esters,none,none,none,none,none
11144,ALUMINUM PALMITATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Al+3],PZWDHVKNXVLHOV-UHFFFAOYSA-K,none,none,none,none,none,none,none,none,none,none,none
11146,TRISTEARIN,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,DCXXMTOCNZCJGO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
11147,TRIPALMITIN,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,PVNIQBQSYATKKL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
11148,TRIMYRISTIN,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,DUXYWXYOBMKGIN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
11160,Methyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OC,OQAGVSWESNCJJT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
11161,Glycylglycylglycine,OtherMutliCpd,Compound,C(C(=O)NCC(=O)NCC(=O)O)N,XKUKSGPZAADMRA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
11163,Glycylglycine,OtherMutliCpd,Compound,C(C(=O)NCC(=O)O)N,YMAWOPBAYDPSLA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
11173,3-METHYL-2-BUTEN-1-OL,OtherMutliCpd,Compound,CC(=CCO)C,ASUAYTHWZCLXAN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
11176,PROPYL ISOVALERATE,OtherMutliCpd,Compound,CCCOC(=O)CC(C)C,LSJMDWFAADPNAX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
11178,ZINC STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2],XOOUIPVCVHRTMJ-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
11192,ZINC ACETATE,OtherMutliCpd,Compound,CC(=O)[O-].CC(=O)[O-].[Zn+2],DJWUNCQRNNEAKC-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
11197,Lignoceric acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,QZZGJDVWLFXDLK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
11199,Ethenol,OtherMutliCpd,Compound,C=CO,IMROMDMJAWUWLK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Enols,Enols,none,none,none,none,none,none
11208,Isobutylene oxide,OtherMutliCpd,Compound,CC1(CO1)C,GELKGHVAFRCJNA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,none,Epoxides,none,none,none,none,none,none
11222,18-HYDROXYCORTICOSTERONE,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O,HFSXHZZDNDGLQN-ZVIOFETBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
11230,Terpinen-4-ol,OtherMutliCpd,Compound,CC1=CCC(CC1)(C(C)C)O,WRYLYDPHFGVWKC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
11251,3-METHYL-2-BUTANONE,OtherMutliCpd,Compound,CC(C)C(=O)C,SYBYTAAJFKOIEJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11261,3-METHYL-2-PENTANOL,OtherMutliCpd,Compound,CCC(C)C(C)O,ZXNBBWHRUSXUFZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
11265,2-METHYL-3-PENTANONE,OtherMutliCpd,Compound,CCC(=O)C(C)C,HYTRYEXINDDXJK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11271,"2	4-DIMETHYL-3-PENTANONE",OtherMutliCpd,Compound,CC(C)C(=O)C(C)C,HXVNBWAKAOHACI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11302,5beta-Dihydrotestosterone,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,NVKAWKQGWWIWPM-MISPCMORSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
11304,"1	4-DIMETHYLNAPHTHALENE",OtherMutliCpd,Compound,CC1=CC=C(C2=CC=CC=C12)C,APQSQLNWAIULLK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
11310,Acetomenaphthone,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C,RYWSYCQQUDFMAU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
11333,lactulose,Drug,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O,JCQLYHFGKNRPGE-FCVZTGTOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
11335,"2	6-DIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=C(C(=CC=C1)C)O,NXXYKOUNUYWIHA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Ortho cresols,none,none,none,none,none,none
11349,3-Hydroxyflavone,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O,HVQAJTFOCKOKIN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
11363,"1-PHENYL-1	2-PROPANEDIONE",OtherMutliCpd,Compound,CC(=O)C(=O)C1=CC=CC=C1,BVQVLAIMHVDZEL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
11369,"2	6-DIETHYLANILINE",OtherMutliCpd,Compound,CCC1=C(C(=CC=C1)CC)N,FOYHNROGBXVLLX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
11370,2-METHOXYBENZOIC ACID,OtherMutliCpd,Compound,COC1=CC=CC=C1C(=O)O,ILUJQPXNXACGAN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,O-methoxybenzoic acids and derivatives,none,none,none,none,none
11379,2-AMINOQUINOLINE,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC(=N2)N,GCMNJUJAKQGROZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Aminoquinolines and derivatives,Aminoquinolines and derivatives,none,none,none,none,none,none
11388,ANATABINE,OtherMutliCpd,Compound,C1C=CCN[C@@H]1C2=CN=CC=C2,SOPPBXUYQGUQHE-JTQLQIEISA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
11406,Allyl benzoate,OtherMutliCpd,Compound,C=CCOC(=O)C1=CC=CC=C1,LYJHVEDILOKZCG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
11419,2-METHYLCYCLOHEXANONE,OtherMutliCpd,Compound,CC1CCCCC1=O,LFSAPCRASZRSKS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
11427,2-Hydroxy-4-(methylthio)butyric acid,OtherMutliCpd,Compound,CSCCC(C(=O)O)O,ONFOSYPQQXJWGS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Thia fatty acids,none,none,none,none,none,none
11449,"Octane-2	3-dione",OtherMutliCpd,Compound,CCCCCC(=O)C(=O)C,XCBBNTFYSLADTO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
11455,3'-Methylacetophenone,OtherMutliCpd,Compound,CC1=CC=CC(=C1)C(=O)C,FSPSELPMWGWDRY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11460,3'-Methoxyacetophenone,OtherMutliCpd,Compound,CC(=O)C1=CC(=CC=C1)OC,BAYUSCHCCGXLAY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11461,3-METHOXYBENZOIC ACID,OtherMutliCpd,Compound,COC1=CC=CC(=C1)C(=O)O,XHQZJYCNDZAGLW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,M-methoxybenzoic acids and derivatives,none,none,none,none,none
11468,1-Terpineol,OtherMutliCpd,Compound,CC(C)C1=CCC(CC1)(C)O,XJWZDXFFNOMMTD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
11487,Diphenylamine,OtherMutliCpd,Compound,C1=CC=C(C=C1)NC2=CC=CC=C2,DMBHHRLKUKUOEG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
11492,m-Tyramine,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)CCN,GHFGJTVYMNRGBY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Phenethylamines,none,none,none,none,none,none
11503,N-Methylphenethylamine,OtherMutliCpd,Compound,CNCCC1=CC=CC=C1,SASNBVQSOZSTPD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Phenethylamines,none,none,none,none,none,none
11505,4-Methylbenzyl alcohol,OtherMutliCpd,Compound,CC1=CC=C(C=C1)CO,KMTDMTZBNYGUNX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
11508,3-METHYL-1-PENTANOL,OtherMutliCpd,Compound,CCC(C)CCO,IWTBVKIGCDZRPL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
11509,3-HEXANONE,OtherMutliCpd,Compound,CCCC(=O)CC,PFCHFHIRKBAQGU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11514,ISOBUTYL ISOVALERATE,OtherMutliCpd,Compound,CC(C)CC(=O)OCC(C)C,KEBDNKNVCHQIJU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
11516,4-OCTANONE,OtherMutliCpd,Compound,CCCCC(=O)CCC,YWXLSHOWXZUMSR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11520,3-HEPTANOL,OtherMutliCpd,Compound,CCCCC(CC)O,RZKSECIXORKHQS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
11525,4-METHYLCYCLOHEXANONE,OtherMutliCpd,Compound,CC1CCC(=O)CC1,VGVHNLRUAMRIEW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
11526,"2	5-DIMETHYLPYRIDINE",OtherMutliCpd,Compound,CC1=CN=C(C=C1)C,XWKFPIODWVPXLX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
11527,3-OCTANOL,OtherMutliCpd,Compound,CCCCCC(CC)O,NMRPBPVERJPACX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
11529,Butyl propionate,OtherMutliCpd,Compound,CCCCOC(=O)CC,BTMVHUNTONAYDX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
11543,2-METHYL-2-PENTANOL,OtherMutliCpd,Compound,CCCC(C)(C)O,WFRBDWRZVBPBDO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
11552,3-Methylbutanal,OtherMutliCpd,Compound,CC(C)CC=O,YGHRJJRRZDOVPD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
11566,3-METHYLCYCLOHEXANOL,OtherMutliCpd,Compound,CC1CCCC(C1)O,HTSABYAWKQAHBT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
11567,3-METHYLCYCLOHEXANONE,OtherMutliCpd,Compound,CC1CCCC(=O)C1,UJBOOUHRTQVGRU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
11569,3-Methoxybenzaldehyde,OtherMutliCpd,Compound,COC1=CC=CC(=C1)C=O,WMPDAIZRQDCGFH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
11576,Butyl acetoacetate,OtherMutliCpd,Compound,CCCCOC(=O)CC(=O)C,REIYHFWZISXFKU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
11579,4-Oxopentanoic acid,OtherMutliCpd,Compound,CC(=O)CCC(=O)O,JOOXCMJARBKPKM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
11583,2-HEXANONE,OtherMutliCpd,Compound,CCCCC(=O)C,QQZOPKMRPOGIEB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11593,Acetoxyacetone,OtherMutliCpd,Compound,CC(=O)COC(=O)C,DBERHVIZRVGDFO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha-acyloxy carbonyl compounds,Alpha-acyloxy ketones,none,none,none,none,none
11614,BUTYL FORMATE,OtherMutliCpd,Compound,CCCCOC=O,NMJJFJNHVMGPGM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
11622,2-TRIDECANONE,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)C,CYIFVRUOHKNECG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
11671,2-HYDROXYISOBUTYRIC ACID,OtherMutliCpd,Compound,CC(C)(C(=O)O)O,BWLBGMIXKSTLSX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,none,none,none,none,none,none
11686,DIMETHYLMALONIC ACID,OtherMutliCpd,Compound,CC(C)(C(=O)O)C(=O)O,OREAFAJWWJHCOT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
11701,"2	2-DIMETHYLSUCCINIC ACID",OtherMutliCpd,Compound,CC(C)(CC(=O)O)C(=O)O,GOHPTLYPQCTZSE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
11732,3-METHYL-2-BUTANOL,OtherMutliCpd,Compound,CC(C)C(C)O,MXLMTQWGSQIYOW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
11747,"2	3-PENTANEDIONE",OtherMutliCpd,Compound,CCC(=O)C(=O)C,TZMFJUDUGYTVRY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
11756,ETHYLMALONIC ACID,OtherMutliCpd,Compound,CCC(C(=O)O)C(=O)O,UKFXDFUAPNAMPJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,none,none,none,none,none,none
11804,3-METHYLURIC ACID,OtherMutliCpd,Compound,CN1C2=C(C(=O)NC1=O)NC(=O)N2,ODCYDGXXCHTFIR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
11811,3-hydroxy-L-kynurenine,OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)N)C(=O)C[C@@H](C(=O)O)N,VCKPUUFAIGNJHC-LURJTMIESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11847,"2	6-DIBROMOPHENOL",OtherMutliCpd,Compound,C1=CC(=C(C(=C1)Br)O)Br,SSIZLKDLDKIHEV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Halophenols,Bromophenols,O-bromophenols,none,none,none,none,none
11850,galactitol,OtherMutliCpd,Compound,C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O,FBPFZTCFMRRESA-GUCUJZIJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
11902,Methyl 2-furoate,OtherMutliCpd,Compound,COC(=O)C1=CC=CO1,HDJLSECJEQSPKW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
11915,BENZOYLFORMIC ACID,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)C(=O)O,FAQJJMHZNSSFSM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
11920,2-(HYDROXYMETHYL)BENZOIC ACID,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CO)C(=O)O,MGMNPSAERQZUIM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
11952,2-Aminoacetophenone,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)CN,HEQOJEGTZCTHCF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11970,2-Hydroxyphenylacetic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CC(=O)O)O,CCVYRRGZDBSHFU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetic acids,2(hydroxyphenyl)acetic acids,none,none,none,none,none,none
11980,ETHYL 2-FUROATE,OtherMutliCpd,Compound,CCOC(=O)C1=CC=CO1,NHXSTXWKZVAVOQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
11982,Propyl 2-furoate,OtherMutliCpd,Compound,CCCOC(=O)C1=CC=CO1,HSCVIIISAAEVQT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
12005,"2	4-DIBROMOPHENOL",OtherMutliCpd,Compound,C1=CC(=C(C=C1Br)Br)O,FAXWFCTVSHEODL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Halophenols,Bromophenols,P-bromophenols,none,none,none,none,none
12020,1-PENTEN-3-OL,OtherMutliCpd,Compound,CCC(C=C)O,VHVMXWZXFBOANQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
12025,2-Pyrrolidinone,OtherMutliCpd,Compound,C1CC(=O)NC1,HNJBEVLQSNELDL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,Pyrrolidones,Pyrrolidine-2-ones,none,none,none,none,none,none
12035,N-Acetyl-L-cysteine,Drug,Compound,CC(=O)N[C@@H](CS)C(=O)O,PWKSKIMOESPYIA-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
12044,ISOPROPYL ISOBUTYRATE,OtherMutliCpd,Compound,CC(C)C(=O)OC(C)C,WVRPFQGZHKZCEB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12046,2-METHYLGLUTARIC ACID,OtherMutliCpd,Compound,CC(CCC(=O)O)C(=O)O,AQYCMVICBNBXNA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
12072,Dihydrocarveol,OtherMutliCpd,Compound,CC1CCC(CC1O)C(=C)C,KRCZYMFUWVJCLI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
12073,"3	4-DIMETHYLBENZOIC ACID",OtherMutliCpd,Compound,CC1=C(C=C(C=C1)C(=O)O)C,OPVAJFQBSDUNQA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
12086,4-ETHYLBENZOIC ACID,OtherMutliCpd,Compound,CCC1=CC=C(C=C1)C(=O)O,ZQVKTHRQIXSMGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
12097,5-METHYLFURFURAL,OtherMutliCpd,Compound,CC1=CC=C(O1)C=O,OUDFNZMQXZILJD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
12105,3-Methylbenzaldehyde,OtherMutliCpd,Compound,CC1=CC=CC(=C1)C=O,OVWYEQOVUDKZNU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
12121,3-Methylphenylacetic acid,OtherMutliCpd,Compound,CC1=CC(=CC=C1)CC(=O)O,GJMPSRSMBJLKKB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
12122,3-Hydroxyphenylacetic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)CC(=O)O,FVMDYYGIDFPZAX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
12131,Trihexanoin,OtherMutliCpd,Compound,CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC,MAYCICSNZYXLHB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
12146,CYCLOHEXYL ACETATE,OtherMutliCpd,Compound,CC(=O)OC1CCCCC1,YYLLIJHXUHJATK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12150,4-Ethoxyphenol,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)O,LKVFCSWBKOVHAH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,4-alkoxyphenols,4-alkoxyphenols,none,none,none,none,none,none
12161,4-Methylstyrene,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C=C,JLBJTVDPSNHSKJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
12168,"1-(2-Furyl)-1	3-butanedione",OtherMutliCpd,Compound,CC(=O)CC(=O)C1=CC=CO1,GPYKJDYMMUIUFG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
12170,Furfuryl acetate,OtherMutliCpd,Compound,CC(=O)OCC1=CC=CO1,CKOYRRWBOKMNRG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
12178,3-HEXANOL,OtherMutliCpd,Compound,CCCC(CC)O,ZOCHHNOQQHDWHG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
12180,Methyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC,UUIQMZJEGPQKFD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
12187,5-Methylhexan-3-one,OtherMutliCpd,Compound,CCC(=O)CC(C)C,DXVYLFHTJZWTRF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
12198,"1	2-Diacetoxypropane",OtherMutliCpd,Compound,CC(COC(=O)C)OC(=O)C,MLHOXUWWKVQEJB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
12206,METHYL VALERATE,OtherMutliCpd,Compound,CCCCC(=O)OC,HNBDRPTVWVGKBR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
12209,2-METHYLBUTYL ACETATE,OtherMutliCpd,Compound,CCC(C)COC(=O)C,XHIUFYZDQBSEMF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12216,3-NONANOL,OtherMutliCpd,Compound,CCCCCCC(CC)O,GYSCXPVAKHVAAY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
12217,Pentyl propionate,OtherMutliCpd,Compound,CCCCCOC(=O)CC,TWSRVQVEYJNFKQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12219,N-Ethylmethylamine,OtherMutliCpd,Compound,CCNC,LIWAQLJGPBVORC-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Secondary amines,Dialkylamines,none,none,none,none,none
12222,Propiolaldehyde,OtherMutliCpd,Compound,C#CC=O,IJNJLGFTSIAHEA-UHFFFAOYSA-N,Organic compounds,Acetylides,none,none,Acetylides,none,none,none,none,none,none
12253,N-ETHYLACETAMIDE,OtherMutliCpd,Compound,CCNC(=O)C,PMDCZENCAXMSOU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
12257,ISOPROPYL FORMATE,OtherMutliCpd,Compound,CC(C)OC=O,RMOUBSOVHSONPZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12265,"2	5-Dimethyl-1H-pyrrole",OtherMutliCpd,Compound,CC1=CC=C(N1)C,PAPNRQCYSFBWDI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
12266,"2	5-DIMETHYLFURAN",OtherMutliCpd,Compound,CC1=CC=C(O1)C,GSNUFIFRDBKVIE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
12272,3-IODOPHENOL,OtherMutliCpd,Compound,C1=CC(=CC(=C1)I)O,FXTKWBZFNQHAAO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Halophenols,Iodophenols,M-iodophenols,none,none,none,none,none
12278,2-PENTYL ACETATE,OtherMutliCpd,Compound,CCCC(C)OC(=O)C,GQKZRWSUJHVIPE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12284,3-METHYLGLUTARIC ACID,OtherMutliCpd,Compound,CC(CC(=O)O)CC(=O)O,XJMMNTGIMDZPMU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
12293,PROPYL HEXANOATE,OtherMutliCpd,Compound,CCCCCC(=O)OCCC,HTUIWRWYYVBCFT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
12294,Butyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCCCC,RPRPDTXKGSIXMD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
12297,2-HEXANOL,OtherMutliCpd,Compound,CCCCC(C)O,QNVRIHYSUZMSGM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
12301,ETHOXYACETIC ACID,OtherMutliCpd,Compound,CCOCC(=O)O,YZGQDNOIGFBYKF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
12327,ETHYL UNDECANOATE,OtherMutliCpd,Compound,CCCCCCCCCCC(=O)OCC,IAFQYUQIAOWKSB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
12329,Dimethyl adipate,OtherMutliCpd,Compound,COC(=O)CCCCC(=O)OC,UDSFAEKRVUSQDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
12344,5-METHYLHEXANOIC ACID,OtherMutliCpd,Compound,CC(C)CCCC(=O)O,MHPUGCYGQWGLJL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
12348,Amyl acetate,OtherMutliCpd,Compound,CCCCCOC(=O)C,PGMYKACGEOXYJE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12366,ETHYL PALMITATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC,XIRNKXNNONJFQO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
12367,2-NONANOL,OtherMutliCpd,Compound,CCCCCCCC(C)O,NGDNVOAEIVQRFH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
12397,1-PENTADECANOL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCO,REIUXOLGHVXAEO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
12404,1-EICOSANOL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCO,BTFJIXJJCSYFAL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
12432,acetic acid amine,OtherMutliCpd,Compound,CC(=O)O.N,USFZMSVCRYTOJT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
12462,"1	2	3-TRIMETHOXYBENZENE",OtherMutliCpd,Compound,COC1=C(C(=CC=C1)OC)OC,CRUILBNAQILVHZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
12473,PYRROLE-2-CARBOXYLIC ACID,OtherMutliCpd,Compound,C1=CNC(=C1)C(=O)O,WRHZVMBBRYBTKZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Pyrrole carboxylic acids and derivatives,Pyrrole carboxylic acids,Pyrrole 2-carboxylic acids,none,none,none,none,none
12489,2-Methyl-1H-pyrrole,OtherMutliCpd,Compound,CC1=CC=CN1,TVCXVUHHCUYLGX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
12496,Aluminum stearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3],CEGOLXSVJUTHNZ-UHFFFAOYSA-K,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
12508,ISOPROPYL PROPIONATE,OtherMutliCpd,Compound,CCC(=O)OC(C)C,IJMWOMHMDSDKGK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12529,Pentyl formate,OtherMutliCpd,Compound,CCCCCOC=O,DIQMPQMYFZXDAX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12530,TRIDECANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCC(=O)O,SZHOJFHSIKHZHA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
12533,OCTADECANAL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC=O,FWWQKRXKHIRPJY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
12547,5b-Pregnanediol,OtherMutliCpd,Compound,CCC1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C,JWMFYGXQPXQEEM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Pregnane steroids,none,none,none,none,none,none
12555,BENZYDAMINE,Drug,Compound,CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3,CNBGNNVCVSKAQZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrazoles,Indazoles,Indazoles,none,none,none,none,none,none
12566,4-Methylbiphenyl,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C2=CC=CC=C2,ZZLCFHIKESPLTH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
12570,2-PROPYLPHENOL,OtherMutliCpd,Compound,CCCC1=CC=CC=C1O,LCHYEKKJCUJAKN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
12571,PROPYL ISOBUTYRATE,OtherMutliCpd,Compound,CCCOC(=O)C(C)C,AZFUASHXSOTBNU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
12578,4'-Isopropylacetophenone,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)C(=O)C,PDLCCNYKIIUWHA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
12580,4-PROPYLPHENOL,OtherMutliCpd,Compound,CCCC1=CC=C(C=C1)O,KLSLBUSXWBJMEC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
12581,3-Phenylpropanenitrile,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC#N,ACRWYXSKEHUQDB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
12587,4-METHYLPENTANOIC ACID,OtherMutliCpd,Compound,CC(C)CCC(=O)O,FGKJLKRYENPLQH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
12591,NONADECANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCC(=O)O,ISYWECDDZWTKFF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
12594,Prasterone sulfate,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C,CZWCKYRVOZZJNM-USOAJAOKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
12599,dAMP,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O,KHWCHTKSEGGWEX-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside monophosphates,Purine 2'-deoxyribonucleoside monophosphates,none,none,none,none,none
12613,ISOAMYL ISOVALERATE,OtherMutliCpd,Compound,CC(C)CCOC(=O)CC(C)C,XINCECQTMHSORG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
12620,1-DOCOSANOL,Drug,Compound,CCCCCCCCCCCCCCCCCCCCCCO,NOPFSRXAKWQILS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
12647,L-homoserine,OtherMutliCpd,Compound,C(CO)[C@@H](C(=O)O)N,UKAUYVFTDYCKQA-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
12665,2-Piperidone,OtherMutliCpd,Compound,C1CCNC(=O)C1,XUWHAWMETYGRKB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Piperidinones,Piperidinones,none,none,none,none,none,none
12736,DODECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCCC(=O)O)CCCCC(=O)O,TVIDDXQYHWJXFK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
12741,2-Decanone,OtherMutliCpd,Compound,CCCCCCCCC(=O)C,ZAJNGDIORYACQU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
12756,gamma-Caprolactone,OtherMutliCpd,Compound,CCC1CCC(=O)O1,JBFHTYHTHYHCDJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
12769,"2	3	5-TRIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)O)C)C,OGRAOKJKVGDSFR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Ortho cresols,none,none,none,none,none,none
12775,3-ETHYL-5-METHYLPHENOL,OtherMutliCpd,Compound,CCC1=CC(=CC(=C1)C)O,XTCHLXABLZQNNN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Meta cresols,none,none,none,none,none,none
12777,delta-Octanolactone,OtherMutliCpd,Compound,CCCC1CCCC(=O)O1,FYTRVXSHONWYNE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
12779,Benzyl methyl disulfide,OtherMutliCpd,Compound,CSSCC1=CC=CC=C1,NWYGPVZOBBHKLI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
12780,4-(2-Furyl)butan-2-one,OtherMutliCpd,Compound,CC(=O)CCC1=CC=CO1,GGJUJWSDTDBTLX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
12810,DELTA-DECALACTONE,OtherMutliCpd,Compound,CCCCCC1CCCC(=O)O1,GHBSPIPJMLAMEP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
12813,gamma-Decalactone,OtherMutliCpd,Compound,CCCCCCC1CCC(=O)O1,IFYYFLINQYPWGJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
12844,DELTA-DODECALACTONE,OtherMutliCpd,Compound,CCCCCCCC1CCCC(=O)O1,QRPLZGZHJABGRS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
12988,3-METHYL-3-BUTEN-1-OL,OtherMutliCpd,Compound,CC(=C)CCO,CPJRRXSHAYUTGL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
12996,Potassium octoate,OtherMutliCpd,Compound,CCCCCCCC(=O)O.[K+],RLEFZEWKMQQZOA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
13006,"1	2-CYCLOHEXANEDIONE",OtherMutliCpd,Compound,C1CCC(=O)C(=O)C1,OILAIQUEIWYQPH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
13016,Benzyl methyl sulfide,OtherMutliCpd,Compound,CSCC1=CC=CC=C1,OFQPKKGMNWASPN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
13109,Levonorgestrel,Drug,Compound,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,WWYNJERNGUHSAO-XUDSTZEESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
13136,Calcium citrate,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2],FNAQSUUGMSOBHW-UHFFFAOYSA-H,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
13144,calcium lactate,OtherMutliCpd,Compound,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],MKJXYGKVIBWPFZ-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
13181,4-PENTEN-1-OL,OtherMutliCpd,Compound,C=CCCCO,LQAVWYMTUMSFBE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
13185,TETRADECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCCCC(=O)O)CCCCCC(=O)O,HQHCYKULIHKCEB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
13187,2-NONANONE,OtherMutliCpd,Compound,CCCCCCCC(=O)C,VKCYHJWLYTUGCC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
13204,delta-Hexalactone,OtherMutliCpd,Compound,CC1CCCC(=O)O1,RZTOWFMDBDPERY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
13246,CYCLODODECANONE,OtherMutliCpd,Compound,C1CCCCCC(=O)CCCCC1,SXVPOSFURRDKBO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
13250,ETHYL GALLATE,OtherMutliCpd,Compound,CCOC(=O)C1=CC(=C(C(=C1)O)O)O,VFPFQHQNJCMNBZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
13314,Lormetazepam,OtherMutliCpd,Compound,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl,FJIKWRGCXUCUIG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodiazepines,1--4-benzodiazepines,1--4-benzodiazepines,none,none,none,none,none,none
13344,Potassium citrate,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+],QEEAPRPFLLJWCF-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
13355,Sodium tartrate,OtherMutliCpd,Compound,C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+],HELHAJAZNSDZJO-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
13357,Methyl 2-methylbutyrate,OtherMutliCpd,Compound,CCC(C)C(=O)OC,OCWLYWIFNDCWRZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
13401,3-HYDROXYPICOLINIC ACID,OtherMutliCpd,Compound,C1=CC(=C(N=C1)C(=O)O)O,BRARRAHGNDUELT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
13414,"2	6-DIMETHYLQUINOLINE",OtherMutliCpd,Compound,CC1=CC2=C(C=C1)N=C(C=C2)C,JJPSZKIOGBRMHK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
13436,DIPHENYL DISULFIDE,OtherMutliCpd,Compound,C1=CC=C(C=C1)SSC2=CC=CC=C2,GUUVPOWQJOLRAS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
13472,"androsta-1	4-diene-3	17-dione",OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,LUJVUUWNAPIQQI-QAGGRKNESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
13538,2-amino-3-cyanopropanoic acid,OtherMutliCpd,Compound,C(C#N)C(C(=O)O)N,BXRLWGXPSRYJDZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
13560,"dimagnesium(2+) ion 3-(phosphonatooxy)pentane-1	5-diol 3-(phosphonatooxy)propane-1	2-diol",OtherMutliCpd,Compound,C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[Mg+2].[Mg+2],XGDVUQNUPQFIPY-UHFFFAOYSA-J,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
13561,6-UNDECANONE,OtherMutliCpd,Compound,CCCCCC(=O)CCCCC,ZPQAKYPOZRXKFA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
13576,3-DECANONE,OtherMutliCpd,Compound,CCCCCCCC(=O)CC,XJLDYKIEURAVBW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
13642,4'-Ethylacetophenone,OtherMutliCpd,Compound,CCC1=CC=C(C=C1)C(=O)C,NODGRWCMFMEGJH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
13650,3-Hydroxycoumarin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=C(C(=O)O2)O,MJKVTPMWOKAVMS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
13651,4-PHENYLPYRIDINE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC=NC=C2,JVZRCNQLWOELDU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
13654,ISOPROPYL BENZOATE,OtherMutliCpd,Compound,CC(C)OC(=O)C1=CC=CC=C1,FEXQDZTYJVXMOS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
13730,2'-deoxyadenosine,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O,OLXZPDWKRNYJJZ-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,Purine 2'-deoxyribonucleosides,Purine 2'-deoxyribonucleosides,none,none,none,none,none,none
13811,ISODESMOSINE,OtherMutliCpd,Compound,C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N,RGXCTRIQQODGIZ-UHFFFAOYSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
13849,PENTADECANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O,WQEPLUUGTLDZJY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
13854,1H-Pyrrole-2-carbaldehyde,OtherMutliCpd,Compound,C1=CNC(=C1)C=O,ZSKGQVFRTSEPJT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
13879,1-Phenylbutan-2-one,OtherMutliCpd,Compound,CCC(=O)CC1=CC=CC=C1,GKDLTXYXODKDEA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
13886,3-PHENYLPYRIDINE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CN=CC=C2,HJKGBRPNSJADMB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
13887,2-PHENYLPYRIDINE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC=CC=N2,VQGHOUODWALEFC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
13888,"1	4-Diacetylbenzene",OtherMutliCpd,Compound,CC(=O)C1=CC=C(C=C1)C(=O)C,SKBBQSLSGRSQAJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
13976,Quinacridone,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4,NRCMAYZCPIVABH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Pyridoacridines,none,none,none,none,none
14003,adenosine tetraphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,WWMWAMFHUSTZTA-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside polyphosphates,none,none,none,none,none,none
14051,Ethambutol dihydrochloride,Drug,Compound,CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl,AUAHHJJRFHRVPV-BZDVOYDHSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
14079,2-ACETYLPYRROLE,OtherMutliCpd,Compound,CC(=O)C1=CC=CN1,IGJQUJNPMOYEJY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
14091,1-METHYL-2-PROPYLBENZENE,OtherMutliCpd,Compound,CCCC1=CC=CC=C1C,YQZBFMJOASEONC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
14104,Thymol methyl ether,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(C)C)OC,LSQXNMXDFRRDSJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
14124,Vanilpyruvic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(=O)C(=O)O)O,YGQHQTMRZPHIBB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
14125,"1	3-Diphenylpropane",OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCC2=CC=CC=C2,VEAFKIYNHVBNIP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,none,Linear 1--3-diarylpropanoids,none,none,none,none,none,none
14138,Heptyl 4-hydroxybenzoate,OtherMutliCpd,Compound,CCCCCCCOC(=O)C1=CC=C(C=C1)O,ZTJORNVITHUQJA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
14180,nicotinamide mononucleotide,OtherMutliCpd,Compound,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N,DAYLJWODMCOQEW-TURQNECASA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyridine nucleotides,Nicotinamide nucleotides,Nicotinamide nucleotides,none,none,none,none,none,none
14223,N-NITROSODIETHANOLAMINE,OtherMutliCpd,Compound,C(CO)N(CCO)N=O,YFCDLVPYFMHRQZ-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Organic nitroso compounds,Organic N-nitroso compounds,none,none,none,none,none,none
14228,Hexyl octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)OCCCCCC,PBGWNXWNCSSXCO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
14286,2-ACETYLPYRIDINE,OtherMutliCpd,Compound,CC(=O)C1=CC=CC=N1,AJKVQEKCUACUMD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
14287,2-ETHYL-6-METHYLPYRIDINE,OtherMutliCpd,Compound,CCC1=CC=CC(=N1)C,SFSXNVBMAODLGN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
14295,2-Phenylpropan-1-ol,OtherMutliCpd,Compound,CC(CO)C1=CC=CC=C1,RNDNSYIPLPAXAZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
14328,"3'	4'-Dimethoxyacetophenone",OtherMutliCpd,Compound,CC(=O)C1=CC(=C(C=C1)OC)OC,IQZLUWLMQNGTIW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
14340,1135-23-5,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)O)O,BOLQJTPHPSDZHR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
14403,AFBI,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,OQIQSTLJSLGHID-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
14421,AFLATOXIN G1,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,XWIYFDMXXLINPU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarolactones,none,none,none,none
14425,Dodecyl gallate,OtherMutliCpd,Compound,CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O,RPWFJAMTCNSJKK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
14457,FERRIC AMMONIUM CITRATE,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.N.[Fe+3],FRHBOQMZUOWXQL-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
14475,2-METHYLHEPTANOIC ACID,OtherMutliCpd,Compound,CCCCCC(C)C(=O)O,NKBWMBRPILTCRD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
14490,6-Hydroxyhexanoic acid,OtherMutliCpd,Compound,C(CCC(=O)O)CCO,IWHLYPDWHHPVAA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
14504,1192-58-1,OtherMutliCpd,Compound,CN1C=CC=C1C=O,OUKQTRFCDKSEPL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
14505,2-Acetylfuran,OtherMutliCpd,Compound,CC(=O)C1=CC=CO1,IEMMBWWQXVXBEU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
14514,2-ACETYL-5-METHYLFURAN,OtherMutliCpd,Compound,CC1=CC=C(O1)C(=O)C,KEFJLCGVTHRGAH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
14529,2-(4-methylphenyl)propan-2-ol,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)(C)O,XLPDVYGDNRIQFV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
14530,"3'	4'-Dihydroxyacetophenone",OtherMutliCpd,Compound,CC(=O)C1=CC(=C(C=C1)O)O,UCQUAMAQHHEXGD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
14536,"2	4-DIMETHYLQUINOLINE",OtherMutliCpd,Compound,CC1=CC(=NC2=CC=CC=C12)C,ZTNANFDSJRRZRJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
14566,methyl 2-benzamidoacetate,OtherMutliCpd,Compound,COC(=O)CNC(=O)C1=CC=CC=C1,XTKVNQKOTKPCKM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
14756,"3	4-dimethylbenzenesulfonic Acid",Drug,Compound,CC1=C(C=C(C=C1)S(=O)(=O)O)C,WYCOJIVDCGJKDB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,p-Methylbenzenesulfonates,none,none,none,none,none,none
14777,Calcium hydrate,OtherMutliCpd,Compound,[OH-].[OH-].[Ca+2],AXCZMVOFGPJBDE-UHFFFAOYSA-L,Inorganic compounds,Mixed metal/non-metal compounds,Alkaline earth metal oxoanionic compounds,Alkaline earth metal hydroxides,Alkaline earth metal hydroxides,none,none,none,none,none,none
14835,Dipotassium glycerophosphate trihydrate,OtherMutliCpd,Compound,C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[K+].[K+].[K+].[K+],AJRDRRBLSSWSKM-UHFFFAOYSA-J,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
14844,CCRIS 3943,OtherMutliCpd,Compound,C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[Mn+2].[Mn+2],PNNHLULHRSZWPG-UHFFFAOYSA-J,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
14878,2-Hydroxypropyl stearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,FKOKUHFZNIUSLW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
14888,Caswell No. 059,Drug,Compound,[O-2].[O-2].[O-2].[As+3].[As+3],QTLQKAJBUDWPIB-UHFFFAOYSA-N,Inorganic compounds,Mixed metal/non-metal compounds,Miscellaneous mixed metal/non-metals,none,Miscellaneous mixed metal/non-metals,none,none,none,none,none,none
14900,Monopalmitin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(CO)O,QHZLMUACJMDIAE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
14924,No_auto_id,OtherMutliCpd,Compound,C[N+](C)(C)CCO.C(C(CC(=O)O)C(=O)O)C(=O)O.O.[Fe],IWVYOUHMLFBRFC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
14925,Tricarballylic acid,OtherMutliCpd,Compound,C(C(CC(=O)O)C(=O)O)C(=O)O,KQTIIICEAUMSDG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
14942,SILICIC ACID,OtherMutliCpd,Compound,O[Si](O)(O)O,RMAQACBXLXPBSY-UHFFFAOYSA-N,Inorganic compounds,Mixed metal/non-metal compounds,Miscellaneous mixed metal/non-metals,Miscellaneous metallic oxoanionic compounds,Miscellaneous silicates,none,none,none,none,none,none
14950,Carmine,OtherMutliCpd,Compound,CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O,DGQLVPJVXFOQEV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
14982,Glycyrrhizic acid,OtherMutliCpd,Compound,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O,LPLVUJXQOOQHMX-QWBHMCJMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
14985,VITAMIN E,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O,GVJHHUAWPYXKBD-IEOSBIPESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
14986,Tocopherols,OtherMutliCpd,Compound,CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O,QUEDXNHFTDJVIY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
15008,Thbp,OtherMutliCpd,Compound,CCCC(=O)C1=CC(=C(C=C1O)O)O,SRUQARLMFOLRDN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
15020,Mesterolone,OtherMutliCpd,Compound,C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C,UXYRZJKIQKRJCF-TZPFWLJSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
15037,1-FURFURYLPYRROLE,OtherMutliCpd,Compound,C1=CN(C=C1)CC2=CC=CO2,BTBFUBUCCJKJOZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
15068,1450-72-2,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)O)C(=O)C,YNPDFBFVMJNGKZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
15076,1-Heptadecanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCO,GOQYKNQRPGWPLP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
15103,Selenomethionine,OtherMutliCpd,Compound,C[Se]CCC(C(=O)O)N,RJFAYQIBOAGBLC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
15104,Selenocystine,OtherMutliCpd,Compound,C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N,JULROCUWKLNBSN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
15109,"2	6-DIMETHOXYBENZOIC ACID",OtherMutliCpd,Compound,COC1=C(C(=CC=C1)OC)C(=O)O,MBIZFBDREVRUHY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,O-methoxybenzoic acids and derivatives,none,none,none,none,none
15116,3-ACETYLTHIOPHENE,OtherMutliCpd,Compound,CC(=O)C1=CSC=C1,RNIDWJDZNNVFDY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
15146,Methyl 3-hydroxybutyrate,OtherMutliCpd,Compound,CC(CC(=O)OC)O,LDLDJEAVRNAEBW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
15209,flurandrenolide,Drug,Compound,C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F,POPFMWWJOGLOIF-XWCQMRHXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
15324,CALCIUM STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2],CJZGTCYPCWQAJB-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
15406,Fenchol,OtherMutliCpd,Compound,CC1(C2CCC(C2)(C1O)C)C,IAIHUHQCLTYTSF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
15448,2-UNDECANOL,OtherMutliCpd,Compound,CCCCCCCCCC(C)O,XMUJIPOFTAHSOK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
15523,2-Ethyl-5-methylphenol,OtherMutliCpd,Compound,CCC1=C(C=C(C=C1)C)O,LTRVUFFOMIUCPJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Meta cresols,none,none,none,none,none,none
15548,Laudanosine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC,KGPAYJZAMGEDIQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
15571,Heptanal glyceryl acetal,OtherMutliCpd,Compound,CCCCCCC1OCC(O1)CO,TYRXGKKCQUIWGI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxolanes,1--3-dioxolanes,1--3-dioxolanes,none,none,none,none,none,none
15572,"(2-phenyl-1	3-dioxolan-4-yl)methanol",OtherMutliCpd,Compound,C1C(OC(O1)C2=CC=CC=C2)CO,AUDDNHGBAJNKEH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
15596,OXACYCLOTETRADECAN-2-ONE,OtherMutliCpd,Compound,C1CCCCCCOC(=O)CCCCC1,IUDIJIVSWGWJNV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
15606,METHYL NONANOATE,OtherMutliCpd,Compound,CCCCCCCCC(=O)OC,IJXHLVMUNBOGRR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
15667,Hexadecanoyl coenzyme A,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MNBKLUUYKPBKDU-TZIIWEFPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
15717,Allyl phenylacetate,OtherMutliCpd,Compound,C=CCOC(=O)CC1=CC=CC=C1,ZCDYAMJXVAUTIM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
15782,1835-14-9,OtherMutliCpd,Compound,CCC(=O)C1=CC(=C(C=C1)O)OC,FBGXENQFSMMBNY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
15816,UNDECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCC(=O)O)CCCCC(=O)O,LWBHHRRTOZQPDM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
15818,Hombreol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,CBMYJHIOYJEBSB-KHOSGYARSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
15938,Paraquat dichloride,OtherMutliCpd,Compound,C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-],FIKAKWIAUPDISJ-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Bipyridines and oligopyridines,Bipyridines and oligopyridines,none,none,none,none,none,none
15939,PARAQUAT,OtherMutliCpd,Compound,C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C,INFDPOAKFNIJBF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Bipyridines and oligopyridines,Bipyridines and oligopyridines,none,none,none,none,none,none
15993,dATP,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,SUYVUBYJARFZHO-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside triphosphates,Purine 2'-deoxyribonucleoside triphosphates,none,none,none,none,none
16040,"8	13-Abietadien-18-oic acid",OtherMutliCpd,Compound,CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C,MLBYBBUZURKHAW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
16043,tert-Butylhydroquinone,OtherMutliCpd,Compound,CC(C)(C)C1=C(C=CC(=C1)O)O,BGNXCDMCOKJUMV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
16078,Dronabinol,Drug,Compound,CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1)O,CYQFCXCEBYINGO-IAGOWNOFSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
16118,METHIONINE SULFOXIMINE,OtherMutliCpd,Compound,CS(=N)(=O)CCC(C(=O)O)N,SXTAYKAGBXMACB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
16237,Ethyl 3-phenylpropionate,OtherMutliCpd,Compound,CCOC(=O)CCC1=CC=CC=C1,JAGZUIGGHGTFHO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
16255,Isopentyl octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)OCCC(C)C,XKWSWANXMRXDES-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
16265,"2	5-DIMETHYLSTYRENE",OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C)C=C,DBWWINQJTZYDFK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
16296,PENTYL BENZOATE,OtherMutliCpd,Compound,CCCCCOC(=O)C1=CC=CC=C1,QKNZNUNCDJZTCH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
16299,Amyl salicylate,OtherMutliCpd,Compound,CCCCCOC(=O)C1=CC=CC=C1O,RANVDUNFZBMTBK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
16330,Butyl salicylate,OtherMutliCpd,Compound,CCCCOC(=O)C1=CC=CC=C1O,YFDUWSBGVPBWKF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
16331,Butyl levulinate,OtherMutliCpd,Compound,CCCCOC(=O)CCC(=O)C,ISBWNEKJSSLXOD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
16418,4-PENTENAL,OtherMutliCpd,Compound,C=CCCC=O,QUMSUJWRUHPEEJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
16441,PERILLALDEHYDE,OtherMutliCpd,Compound,CC(=C)C1CCC(=CC1)C=O,RUMOYJJNUMEFDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
16476,Pentadecylbenzene,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC1=CC=CC=C1,JIRNEODMTPGRGV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
16493,Chlorthal,OtherMutliCpd,Compound,C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O,KZCBXHSWMMIEQU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Phthalic acid and derivatives,P-phthalic acid and derivatives,none,none,none,none,none
16500,ADP-glucose,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,WFPZSXYXPSUOPY-ROYWQJLOSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
16582,2-Isobutoxynaphthalene,OtherMutliCpd,Compound,CC(C)COC1=CC2=CC=CC=C2C=C1,XOHIHZHSDMWWMS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
16610,CALCIUM OCTANOATE,OtherMutliCpd,Compound,CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2],NDWWLJQHOLSEHX-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
16617,Isopentyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCCC(C)C,XVSZRAWFCDHCBP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
16666,l-Menthol,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,NOOLISFMXDJSKH-KXUCPTDWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
16682,Asparagusic acid,OtherMutliCpd,Compound,C1C(CSS1)C(=O)O,AYGMEFRECNWRJC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dithiolanes,Dithiolanecarboxylic acids,1--2-dithiolanecarboxylic acids,1--2-dithiolane-4-carboxylic acids,none,none,none,none,none
16720,"1	5-Diaminonaphthalene",OtherMutliCpd,Compound,C1=CC2=C(C=CC=C2N)C(=C1)N,KQSABULTKYLFEV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
16724,d-Carvone,OtherMutliCpd,Compound,CC1=CC[C@@H](CC1=O)C(=C)C,ULDHMXUKGWMISQ-VIFPVBQESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
16741,Phenethyl isothiocyanate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCN=C=S,IZJDOKYDEWTZSO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
16757,5-Phenylvaleric acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCCC(=O)O,BYHDDXPKOZIZRV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
16800,2-PENTYLPYRIDINE,OtherMutliCpd,Compound,CCCCCC1=CC=CC=N1,HSDXVAOHEOSTFZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
16821,gamma-Dodecalactone,OtherMutliCpd,Compound,CCCCCCCCC1CCC(=O)O1,WGPCZPLRVAWXPW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
16822,Dihydroconiferyl alcohol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCCO)O,MWOMNLDJNQWJMK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
16832,ISOPROPYL HEXANOATE,OtherMutliCpd,Compound,CCCCCC(=O)OC(C)C,JSHDAORXSNJOBA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
16846,PROPYL BENZOATE,OtherMutliCpd,Compound,CCCOC(=O)C1=CC=CC=C1,UDEWPOVQBGFNGE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
16850,fluorescein,Drug,Compound,C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,GNBHRKFJIUUOQI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
16872,Hexyl isobutyrate,OtherMutliCpd,Compound,CCCCCCOC(=O)C(C)C,CYHBDKTZDLSRMY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
16898,HENEICOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCC(=O)O,CKDDRHZIAZRDBW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
16913,2-METHYLISOBORNEOL,OtherMutliCpd,Compound,CC1(C2CCC1(C(C2)(C)O)C)C,LFYXNXGVLGKVCJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
16928,Homovanillyl alcohol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCO)O,XHUBSJRBOQIZNI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
16950,ARGININOSUCCINIC ACID,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O,KDZOASGQNOPSCU-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
17000,"2	2	6-TRIMETHYLCYCLOHEXANONE",OtherMutliCpd,Compound,CC1CCCC(C1=O)(C)C,ZPVOLGVTNLDBFI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
17008,Methyl 4-methylvalerate,OtherMutliCpd,Compound,CC(C)CCC(=O)OC,KBCOVKHULBZKNY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
17016,"2	3	6-TRIMETHYLPHENOL",OtherMutliCpd,Compound,CC1=C(C(=C(C=C1)C)O)C,QQOMQLYQAXGHSU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Ortho cresols,none,none,none,none,none,none
17076,"N	N-Diethyl-2-phenylacetamide",OtherMutliCpd,Compound,CCN(CC)C(=O)CC1=CC=CC=C1,UXDAWVUDZLBBAM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetamides,Phenylacetamides,none,none,none,none,none,none
17083,11-AMINOUNDECANOIC ACID,OtherMutliCpd,Compound,C(CCCCCN)CCCCC(=O)O,GUOSQNAUYHMCRU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
17085,TRICOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,XEZVDURJDFGERA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
17106,L-Fucose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O,SHZGCJCMOBCMKK-DHVFOXMCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
17129,2-METHYLBUTYL 2-METHYLBUTYRATE,OtherMutliCpd,Compound,CCC(C)COC(=O)C(C)CC,PVYFCGRBIREQLL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
17150,Formebolone,OtherMutliCpd,Compound,C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C=O)O)C)O,AMVODTGMYSRMNP-GNIMZFFESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
17288,Azetidine-2-carboxylic acid,OtherMutliCpd,Compound,C1CNC1C(=O)O,IADUEWIQBXOCDZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
17292,5-ETHYLBARBITURIC ACID,OtherMutliCpd,Compound,CCC1C(=O)NC(=O)NC1=O,FMTLDVACNZDTQL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,Barbituric acid derivatives,none,none,none,none,none
17473,Udp-glucuronic acid,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,HDYANYHVCAPMJV-LXQIFKJMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
17517,Isoprocarb,OtherMutliCpd,Compound,CC(C)C1=CC=CC=C1OC(=O)NC,QBSJMKIUCUGGNG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
17520,2634-33-5,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)NS2,DMSMPAJRVJJAGA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
17525,HEXYL BUTYRATE,OtherMutliCpd,Compound,CCCCCCOC(=O)CCC,XAPCMTMQBXLDBB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
17563,Cosban,OtherMutliCpd,Compound,CC1=CC(=CC(=C1)OC(=O)NC)C,CVQODEWAPZVVBU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenyl methylcarbamates,Phenyl methylcarbamates,none,none,none,none,none,none
17586,sec-Butyl ethyl ether,OtherMutliCpd,Compound,CCC(C)OCC,VSCUCHUDCLERMY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
17623,Methyl 2-Acetamidobenzoate,OtherMutliCpd,Compound,CC(=O)NC1=CC=CC=C1C(=O)OC,UYQKZKVNYKOXHG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
17688,L-Agaritine,OtherMutliCpd,Compound,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,SRSPQXBFDCGXIZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
17697,PENTADECANAL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC=O,XGQJZNCFDLXSIJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
17739,2-METHOXY-4-PROPYLPHENOL,OtherMutliCpd,Compound,CCCC1=CC(=C(C=C1)O)OC,PXIKRTCSSLJURC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
17776,DINOSEB ACETATE,OtherMutliCpd,Compound,CCC(C)C1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-],RDJTWDKSYLLHRW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
18170,Benzyl thiocyanate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CSC#N,ABNDFSOIUFLJAH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl thiocyanates,Benzyl thiocyanates,none,none,none,none,none,none
18189,4-Acetamidobutyric acid,OtherMutliCpd,Compound,CC(=O)NCCCC(=O)O,UZTFMUBKZQVKLK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
18381,dicloxacillin,Drug,Compound,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,YFAGHNZHGGCZAX-JKIFEVAISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
18396,GDP-D-mannose,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N,MVMSCBBUIHUTGJ-GDJBGNAASA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
18519,Tetrahydropapaveroline,OtherMutliCpd,Compound,C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O,ABXZOXDTHTTZJW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
18522,2-METHYLTETRAHYDROFURAN-3-ONE,OtherMutliCpd,Compound,CC1C(=O)CCO1,FCWYQRVIQDNGBI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
18554,2-Ethylfuran,OtherMutliCpd,Compound,CCC1=CC=CO1,HLPIHRDZBHXTFJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
18635,3-(Methylthio)propionaldehyde,OtherMutliCpd,Compound,CSCCC=O,CLUWOWRTHNNBBU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
18648,2-ETHYLHEPTANOIC ACID,OtherMutliCpd,Compound,CCCCCC(CC)C(=O)O,DYWSVUBJGFTOQC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
18686,Ethyl cyclohexanecarboxylate,OtherMutliCpd,Compound,CCOC(=O)C1CCCCC1,JJOYCHKVKWDMEA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
18698,DELTA-NONALACTONE,OtherMutliCpd,Compound,CCCCC1CCCC(=O)O1,PXRBWNLUQYZAAX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
18771,DITHIANON,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N,PYZSVQVRHDXQSL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
18826,"1	7-Dioxacycloheptadecan-8-one",OtherMutliCpd,Compound,C1CCCCC(=O)OCCCCCOCCCC1,MKEIDVFLAWJKMY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
18845,d-iduronic acid,OtherMutliCpd,Compound,C(=O)[C@H]([C@@H]([C@H]([C@@H](C(=O)O)O)O)O)O,IAJILQKETJEXLJ-LECHCGJUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
18938,"3	5	5-Trimethylhexan-1-ol",OtherMutliCpd,Compound,CC(CCO)CC(C)(C)C,BODRLKRKPXBDBN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
18950,D-Mannose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O,WQZGKKKJIJFFOK-QTVWNMPRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
18954,Triammonium citrate,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+],YWYZEGXAUVWDED-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
18986,5-Methoxyindole-3-acetic acid,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)NC=C2CC(=O)O,COCNDHOPIHDTHK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
19089,(2-Methoxyethyl)benzene,OtherMutliCpd,Compound,COCCC1=CC=CC=C1,CQLYXIUHVFRXLT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
19090,megestrol,Drug,Compound,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,VXIMPSPISRVBPZ-NWUMPJBXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
19137,4-(3-Oxobutyl)phenyl acetate,OtherMutliCpd,Compound,CC(=O)CCC1=CC=C(C=C1)OC(=O)C,UMIKWXDGXDJQJK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
19147,4-Octylbenzoic acid,OtherMutliCpd,Compound,CCCCCCCCC1=CC=C(C=C1)C(=O)O,ZQLDNJKHLQOJGE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
19166,2-Ethylacrylic acid,OtherMutliCpd,Compound,CCC(=C)C(=O)O,WROUWQQRXUBECT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,none,none,none,none,none,none
19188,PHENOXYACETIC ACID,OtherMutliCpd,Compound,C1=CC=C(C=C1)OCC(=O)O,LCPDWSOZIOUXRV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
19212,ECDYSONE,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)O,UPEZCKBFRMILAV-JMZLNJERSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
19244,Neoisomenthol,OtherMutliCpd,Compound,C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C,NOOLISFMXDJSKH-OPRDCNLKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
19273,MLS002638530,OtherMutliCpd,Compound,CC1CC2C3CCC(C3(CC(=O)C2C4(C1=CC(=O)CC4)C)C)C(=O)C,NUSUWEUUEXDJDY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
19309,3658-77-3,OtherMutliCpd,Compound,CC1C(=O)C(=C(O1)C)O,INAXVXBDKKUCGI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
19462,"2	4-DIMETHYLFURAN",OtherMutliCpd,Compound,CC1=CC(=CO1)C,AABTWRKUKUPMJG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
19543,"4-Penten-2-one	 4-methyl-",OtherMutliCpd,Compound,CC(=C)CC(=O)C,VADUDTKCGJKNDY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
19602,2-PENTYLFURAN,OtherMutliCpd,Compound,CCCCCC1=CC=CO1,YVBAUDVGOFCUSG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
19603,2-HEPTYLFURAN,OtherMutliCpd,Compound,CCCCCCCC1=CC=CO1,BHTUFJXTYNLISA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
19707,"2	3-HEXANEDIONE",OtherMutliCpd,Compound,CCCC(=O)C(=O)C,MWVFCEVNXHTDNF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
19800,2-BUTYL-1-OCTANOL,OtherMutliCpd,Compound,CCCCCCC(CCCC)CO,XMVBHZBLHNOQON-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
19829,"3	4-dihydroxy-5-methoxybenzoic acid",OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C(=O)O,KWCCUYSXAYTNKA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
19999,CALCIUM PROPIONATE,OtherMutliCpd,Compound,CCC(=O)[O-].CCC(=O)[O-].[Ca+2],BCZXFFBUYPCTSJ-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
20049,2-amino-3-[(2-aminoethyl)sulfanyl]propanoic acid,OtherMutliCpd,Compound,C(CSCC(C(=O)O)N)N,GHSJKUNUIHUPDF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
20083,Octan-2-ol,OtherMutliCpd,Compound,CCCCCCC(C)O,SJWFXCIHNDVPSH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
20087,"2	6-Di-tert-butyl-4-ethylphenol",OtherMutliCpd,Compound,CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,BVUXDWXKPROUDO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
20245,NONACOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,IHEJEKZAKSNRLY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
20279,Cladribine,Drug,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3N)Cl)CO)O,PTOAARAWEBMLNO-KVQBGUIXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,Purine 2'-deoxyribonucleosides,Purine 2'-deoxyribonucleosides,none,none,none,none,none,none
20341,Deglucocheirotoxin,OtherMutliCpd,Compound,CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O,HULMNSIAKWANQO-RMBZBVRKSA-N,none,none,none,none,none,none,none,none,none,none,none
20354,phenyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC1=CC=CC=C1,IGVPBCZDHMIOJH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
20392,2-(Methoxycarbonyl)benzoic acid,OtherMutliCpd,Compound,COC(=O)C1=CC=CC=C1C(=O)O,FNJSWIPFHMKRAT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
20393,4376-20-9,OtherMutliCpd,Compound,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O,DJDSLBVSSOQSLW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
20469,beclomethasone,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C,NBMKJKDGKREAPL-DVTGEIKXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
20486,CHLOROPHENOL RED,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)O)Cl,WWAABJGNHFGXSJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Benzofuranones,Benzofuranones,none,none,none,none,none,none
20497,"1	2	3-Butanetriol",OtherMutliCpd,Compound,CC(C(CO)O)O,YAXKTBLXMTYWDQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
20499,DIFURFURYL DISULFIDE,OtherMutliCpd,Compound,C1=COC(=C1)CSSCC2=CC=CO2,CBJPZHSWLMJQRI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
20525,"2	4	5-TRIMETHOXYBENZALDEHYDE",OtherMutliCpd,Compound,COC1=CC(=C(C=C1C=O)OC)OC,IAJBQAYHSQIQRE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
20534,2-BUTYLFURAN,OtherMutliCpd,Compound,CCCCC1=CC=CO1,NWZIYQNUCXUJJJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
20585,CHOLINE; THEOPHYLLINE,Drug,Compound,CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO,RIKWPUSWRKPQAB-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,none,none,none,none,none,none
20653,2-METHYLHEXANOIC ACID,OtherMutliCpd,Compound,CCCCC(C)C(=O)O,CVKMFSAVYPAZTQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
20724,3-PHENYLBUTYRIC ACID,OtherMutliCpd,Compound,CC(CC(=O)O)C1=CC=CC=C1,ZZEWMYILWXCRHZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
20725,"6	7-Dimethoxy-1-methylisoquinoline",OtherMutliCpd,Compound,CC1=NC=CC2=CC(=C(C=C12)OC)OC,VBMZFACBWDZUSM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,none,Isoquinolines and derivatives,none,none,none,none,none,none
20745,6-Methylhept-5-en-2-ol,OtherMutliCpd,Compound,CC(CCC=C(C)C)O,OHEFFKYYKJVVOX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
20748,Methyl cyclohexanecarboxylate,OtherMutliCpd,Compound,COC(=O)C1CCCCC1,ZQWPRMPSCMSAJU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Methyl esters,none,none,none,none,none
20818,benzyl hydrogen sulfate,OtherMutliCpd,Compound,C1=CC=C(C=C1)COS(=O)(=O)O,CZNJCCVKDVCRKF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
20819,Disodium 5'-inosinate,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],AANLCWYVVNBGEE-IDIVVRGQSA-L,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
20824,carbenicillin,Drug,Compound,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C,FPPNZSSZRUTDAP-UWFZAAFLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
20861,4-ETHYLBENZALDEHYDE,OtherMutliCpd,Compound,CCC1=CC=C(C=C1)C=O,QNGNSVIICDLXHT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
20928,1-HEXEN-3-OL,OtherMutliCpd,Compound,CCCC(C=C)O,BVOSSZSHBZQJOI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
20984,"3	3-DIMETHYLGLUTARIC ACID",OtherMutliCpd,Compound,CC(C)(CC(=O)O)CC(=O)O,DUHQIGLHYXLKAE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
21057,1-HEPTEN-3-OL,OtherMutliCpd,Compound,CCCCC(C=C)O,PZKFYTOLVRCMOA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
21059,Ethyl maltol,OtherMutliCpd,Compound,CCC1=C(C(=O)C=CO1)O,YIKYNHJUKRTCJL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrans,Pyranones and derivatives,Pyranones and derivatives,none,none,none,none,none,none
21100,Metanephrine,OtherMutliCpd,Compound,CNCC(C1=CC(=C(C=C1)O)OC)O,JWJCTZKFYGDABJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
21220,SULFOSUCCINIC ACID,OtherMutliCpd,Compound,C(C(C(=O)O)S(=O)(=O)O)C(=O)O,ULUAUXLGCMPNKK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Thia fatty acids,none,none,none,none,none,none
21236,L-Norleucine,OtherMutliCpd,Compound,CCCC[C@@H](C(=O)O)N,LRQKBLKVPFOOQJ-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
21265,Prenyl benzoate,OtherMutliCpd,Compound,CC(=CCOC(=O)C1=CC=CC=C1)C,INVWRXWYYVMFQC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
21363,CYCLOHEXYLACETIC ACID,OtherMutliCpd,Compound,C1CCC(CC1)CC(=O)O,LJOODBDWMQKMFB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
21443,5-Chloro-2-hydroxybenzylidenemalononitrile,OtherMutliCpd,Compound,C1=CC(=C(C=C1Cl)C=C(C#N)C#N)O,YNDWMWPHAMWBLG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Halophenols,Chlorophenols,P-chlorophenols,none,none,none,none,none
21491,Camphoric acid,OtherMutliCpd,Compound,CC1(C(CCC1(C)C(=O)O)C(=O)O)C,LSPHULWDVZXLIL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
21574,"3	5	5-Trimethylhexanal",OtherMutliCpd,Compound,CC(CC=O)CC(C)(C)C,WTPYRCJDOZVZON-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
21596,BUTYL HEPTANOATE,OtherMutliCpd,Compound,CCCCCCC(=O)OCCCC,YPQSPODHFDGVAC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
21625,ETHYL 3-MERCAPTOPROPIONATE,OtherMutliCpd,Compound,CCOC(=O)CCS,CJQWLNNCQIHKHP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
21648,4-(4-Hydroxyphenyl)-2-butanone,OtherMutliCpd,Compound,CC(=O)CCC1=CC=C(C=C1)O,NJGBTKGETPDVIK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
21706,Diadenosine tetraphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,YOAHKNVSNCMZGQ-XPWFQUROSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
21813,8-methyldecanoic acid,OtherMutliCpd,Compound,CCC(C)CCCCCCC(=O)O,WGKCPRZDCLXOIQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
21859,ISOSTEARIC ACID,OtherMutliCpd,Compound,CC(C)CCCCCCCCCCCCCCC(=O)O,XDOFQFKRPWOURC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
21863,N-(2-Furoyl)glycine,OtherMutliCpd,Compound,C1=COC(=C1)C(=O)NCC(=O)O,KSPQDMRTZZYQLM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
21895,Phenylacetaldehyde glyceryl acetal,OtherMutliCpd,Compound,C1C(OC(O1)CC2=CC=CC=C2)CO,ZPENOSKWEKGDCX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
22013,"2	4	5-TRIMETHYLBENZALDEHYDE",OtherMutliCpd,Compound,CC1=CC(=C(C=C1C=O)C)C,LROJZZICACKNJL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
22037,Calcium verate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Ca+2],OEUVSBXAMBLPES-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
22122,2-Butyl-1H-benzimidazole,OtherMutliCpd,Compound,CCCCC1=NC2=CC=CC=C2N1,HITWHALOZBMLHY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
22197,Iron dilactate,OtherMutliCpd,Compound,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2],DKKCQDROTDCQOR-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
22207,14-METHYLHEXADECANOIC ACID,OtherMutliCpd,Compound,CCC(C)CCCCCCCCCCCCC(=O)O,FXUKWLSZZHVEJD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
22253,L-xylulose,OtherMutliCpd,Compound,C([C@@H]([C@H](C(=O)CO)O)O)O,ZAQJHHRNXZUBTE-WVZVXSGGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
22283,"7	14	16-Trihydroxy-3-methyl-3	4	5	6	7	8	9	10	11	12-decahydro-1H-2-benzoxacyclotetradecin-1-one",OtherMutliCpd,Compound,CC1CCCC(CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O,DWTTZBARDOXEAM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
22386,2-PENTANOL,OtherMutliCpd,Compound,CCCC(C)O,JYVLIDXNZAXMDK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
22478,Isobutyldiurea,OtherMutliCpd,Compound,CC(C)C(NC(=O)N)NC(=O)N,QFHMNFAUXJAINK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,Ureas,Ureas,none,none,none,none,none,none
22556,2-Dodecanone,OtherMutliCpd,Compound,CCCCCCCCCCC(=O)C,LSKONYYRONEBKA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
22563,Deethylatrazine,Xenobiotic,Compound,CC(C)NC1=NC(=NC(=N1)N)Cl,DFWFIQKMSFGDCQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Triazines,Aminotriazines,1--3--5-triazine-2--4-diamines,none,none,none,none,none,none
22766,3-HEXYLPYRIDINE,OtherMutliCpd,Compound,CCCCCCC1=CN=CC=C1,LWEQIZSFZFUWIE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
22846,"Pantothenic acid	 calcium salt	 compd. with calcium chloride (CaCl2) (1:1)",OtherMutliCpd,Compound,CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Cl-].[Cl-].[Ca+2].[Ca+2],QGWZUKRMHMQGMZ-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
22873,HEXYL HEXANOATE,OtherMutliCpd,Compound,CCCCCCOC(=O)CCCCC,NCDCLPBOMHPFCV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
23135,Candicine,OtherMutliCpd,Compound,C[N+](C)(C)CCC1=CC=C(C=C1)O,PTOJXIKSKSASRB-UHFFFAOYSA-O,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Phenethylamines,none,none,none,none,none,none
23229,"1	3-DIACETYLBENZENE",OtherMutliCpd,Compound,CC(=O)C1=CC(=CC=C1)C(=O)C,VCHOFVSNWYPAEF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
23235,Hexyl benzoate,OtherMutliCpd,Compound,CCCCCCOC(=O)C1=CC=CC=C1,UUGLJVMIFJNVFH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
23327,D-glutamic acid,OtherMutliCpd,Compound,C(CC(=O)O)[C@H](C(=O)O)N,WHUUTDBJXJRKMK-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
23367,BENZYL HEXANOATE,OtherMutliCpd,Compound,CCCCCC(=O)OCC1=CC=CC=C1,HRSXWUSONDBHSP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
23368,DIISOPROPYL ADIPATE,OtherMutliCpd,Compound,CC(C)OC(=O)CCCCC(=O)OC(C)C,ZDQWESQEGGJUCH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
23524,HEPTACOSANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,VXZBFBRLRNDJCS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
23535,LINALYL ANTHRANILATE,OtherMutliCpd,Compound,CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C,WHIJSULEEDNKPD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
23642,2-Methoxybenzenethiol,OtherMutliCpd,Compound,COC1=CC=CC=C1S,DSCJETUEDFKYGN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Thiophenols,none,Thiophenols,none,none,none,none,none,none
23648,22040-96-6,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1,WWSYXEZEXMQWHT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
23670,"1H	12H-Furo[3'	2':4	5]furo[2	3-h]pyrano[3	4-c][1]benzopyran-1	12-dione	 3	4	7a	9	10	10a-hexahydro-5-methoxy-	 (7aR-cis)-",OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1,WPCVRWVBBXIRMA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarolactones,none,none,none,none
23719,3-METHOXYPYRIDINE,OtherMutliCpd,Compound,COC1=CN=CC=C1,UMJSCPRVCHMLSP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Alkyl aryl ethers,none,none,none,none,none,none
23897,MOLINDONE,Drug,Compound,CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C,KLPWJLBORRMFGK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
23915,Schizandrin,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC,YEFOAORQXAOVJQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
24020,Ethyl 2-methylbutyrate,OtherMutliCpd,Compound,CCC(C)C(=O)OCC,HCRBXQFHJMCTLF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
24114,7492-70-8,OtherMutliCpd,Compound,CCCCOC(=O)C(C)OC(=O)CCC,NORZZKKLCYMBBF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
24115,Acetyl isobutyryl,OtherMutliCpd,Compound,CC(C)C(=O)C(=O)C,JENYBWHRLYZSSZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
24116,ALLYL ANTHRANILATE,OtherMutliCpd,Compound,C=CCOC(=O)C1=CC=CC=C1N,UCANFCXAKYMFGA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
24117,Allyl phenoxyacetate,OtherMutliCpd,Compound,C=CCOC(=O)COC1=CC=CC=C1,VUFZVGQUAVDKMC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
24135,4-O-Methylphloracetophenone,OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1O)OC)O,GKSGTWUNURZTKD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
24139,acetylglucosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,OVRNDRQMDRJTHS-FMDGEEDCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
24197,DIETHYL MALATE,OtherMutliCpd,Compound,CCOC(=O)CC(C(=O)OCC)O,VKNUORWMCINMRB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
24200,azanium 4-amino-5-hydroxy-5-oxopentanoate,OtherMutliCpd,Compound,C(CC(=O)[O-])C(C(=O)O)N.[NH4+],PHKGGXPMPXXISP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
24316,cyclic gmp,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Cyclic purine nucleotides,3'--5'-cyclic purine nucleotides,none,none,none,none,none,none
24401,Permanganate,OtherMutliCpd,Compound,[O-][Mn](=O)(=O)=O,NPDODHDPVPPRDJ-UHFFFAOYSA-N,Inorganic compounds,Miscellaneous inorganic compounds,Inorganic oxides,none,Inorganic oxides,none,none,none,none,none,none
24417,S-Methyl-L-cysteine,OtherMutliCpd,Compound,CSC[C@@H](C(=O)O)N,IDIDJDIHTAOVLG-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,L-cysteine-S-conjugates,none,none,none
24433,BUTYL ANTHRANILATE,OtherMutliCpd,Compound,CCCCOC(=O)C1=CC=CC=C1N,HUIYGGQINIVDNW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
24443,Pantothenamide,OtherMutliCpd,Compound,CC(C)(CO)C(C(=O)NCCC(=O)N)O,AMMYIDAXRNSZSJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
24510,CYCLOHEXYL ANTHRANILATE,OtherMutliCpd,Compound,C1CCC(CC1)OC(=O)C2=CC=CC=C2N,KFEZETDKFSMLMG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
24515,ISOBUTYL ANTHRANILATE,OtherMutliCpd,Compound,CC(C)COC(=O)C1=CC=CC=C1N,ILCLJQFCMRCPNM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
24516,Isobutyl heptanoate,OtherMutliCpd,Compound,CCCCCCC(=O)OCC(C)C,HXJOYVPESRRCDB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
24520,5-HYDROXYDODECANOIC ACID,OtherMutliCpd,Compound,CCCCCCCC(CCCC(=O)O)O,LXNOENXQFNYMGT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
24583,2-Methyloctanal,OtherMutliCpd,Compound,CCCCCCC(C)C=O,ZKPFRIDJMMOODR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
24585,p-Menth-8-en-3-ol,OtherMutliCpd,Compound,CC1CCC(C(C1)O)C(=C)C,ZYTMANIQRDEHIO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
24667,Butylhydroxyanisole,OtherMutliCpd,Compound,CC(C)(C)C1=C(C=CC(=C1)O)OC.CC(C)(C)C1=C(C=CC(=C1)OC)O,CZBZUDVBLSSABA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
24672,"6	8-Quinolinedisulfonic acid	 2-(2	3-dihydro-1	3-dioxo-1H-inden-2-yl)-",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O,OESPFRYVCUTRKF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanediones,none,none,none,none,none,none
24699,Glyceryl monostearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,VBICKXHEKHSIBG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
24711,CALCIUM LIGNOSULFONATE,OtherMutliCpd,Compound,COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2],RYAGRZNBULDMBW-UHFFFAOYSA-L,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
24748,Croscarmellose,OtherMutliCpd,Compound,CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O,VJHCJDRQFCCTHL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
24750,2-(DODECYLOXY)ETHANOL,Drug,Compound,CCCCCCCCCCCCOCCO,SFNALCNOMXIBKG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
24751,Poloxamer 188,OtherMutliCpd,Compound,CC1CO1.C1CO1,RVGRUAULSDPKGF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,none,Epoxides,none,none,none,none,none,none
24759,Synvisc,OtherMutliCpd,Compound,CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H](C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O)O)CO)O,KIUKXJAPPMFGSW-MNSSHETKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
24762,Polyethylene glycol monostearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCCO,RFVNOJDQRGSOEL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
24766,Chondroitin sulphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,KXKPYJOVDUMHGS-OSRGNVMNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
24802,2-(carboxymethyl)-2-hydroxybutanedioate,OtherMutliCpd,Compound,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O,KRKNYBCHXYNGOX-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
24834,4-ETHOXYBENZALDEHYDE,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)C=O,JRHHJNMASOIRDS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
24835,EUGENYL FORMATE,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC=C)OC=O,JUTKIGGQRLHTJN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
24838,Hexyl 2-methylbutanoate,OtherMutliCpd,Compound,CCCCCCOC(=O)C(C)CC,YUECNVSODFDKOQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
24874,SEC-BUTYLAMINE,OtherMutliCpd,Compound,CCC(C)N,BHRZNVHARXXAHW-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Primary amines,Monoalkylamines,none,none,none,none,none
24913,methoxy(phenyl)phosphinic acid,OtherMutliCpd,Compound,COP(=O)(C1=CC=CC=C1)O,ZWBALHRZGYPNNG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
24915,10094-34-5,OtherMutliCpd,Compound,CCCC(=O)OC(C)(C)CC1=CC=CC=C1,SHSGYHAHMQLYRB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
25076,3-seleno-alanine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)[SeH],ZKZBPNGNEQAJSX-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
25102,Norsolorinic acid,OtherMutliCpd,Compound,CCCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)O,XIJDBHLQUYAZJI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
25289,Orthoperiodic acid,OtherMutliCpd,Compound,OI(=O)(O)(O)(O)O,TWLXDPFBEPBAQB-UHFFFAOYSA-N,Inorganic compounds,Homogeneous non-metal compounds,Halogen organides,Halogen oxides,Halogen oxides,none,none,none,none,none,none
25310,L-Rhamnose,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O,SHZGCJCMOBCMKK-JFNONXLTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
25311,TRIDECANAL,OtherMutliCpd,Compound,CCCCCCCCCCCCC=O,BGEHHAVMRVXCGR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
25429,Carbendazim,OtherMutliCpd,Compound,COC(=O)NC1=NC2=CC=CC=C2N1,TWFZGCMQGLPBSX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,2-benzimidazolylcarbamic acid esters,2-benzimidazolylcarbamic acid esters,none,none,none,none,none,none
25457,2-DODECYLBENZENESULFONIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O,WBIQQQGBSDOWNP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Benzenesulfonic acids and derivatives,none,none,none,none,none,none
25474,Acid Red 94,OtherMutliCpd,Compound,C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O,VDNLFJGJEQUWRB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
25561,Aceglutamid,OtherMutliCpd,Compound,CC(=O)NC(CCC(=O)N)C(=O)O,KSMRODHGGIIXDV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
25611,2-METHYL-3-HEPTANONE,OtherMutliCpd,Compound,CCCCC(=O)C(C)C,XYYMFUCZDNNGFS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
25701,Cysteic Acid,OtherMutliCpd,Compound,C(C(C(=O)O)N)S(=O)(=O)O,XVOYSCVBGLVSOL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
26133,Hydrocortisone 17-butyrate,Drug,Compound,CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO,BMCQMVFGOVHVNG-TUFAYURCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
26179,1-(2-Thienyl)-1-propanone,OtherMutliCpd,Compound,CCC(=O)C1=CC=CS1,MFPZQZZWAMAHOY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
26204,"5-Methylhexane-2	3-dione",OtherMutliCpd,Compound,CC(C)CC(=O)C(=O)C,PQCLJXVUAWLNSV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
26333,2-ISOBUTYL-3-METHYLPYRAZINE,OtherMutliCpd,Compound,CC1=NC=CN=C1CC(C)C,ZHMIODDNZRIENW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
26383,NEQUINATE,OtherMutliCpd,Compound,CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OCC3=CC=CC=C3,NNOPDLNHPOLRRE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
26447,MENTHONE,OtherMutliCpd,Compound,C[C@@H]1CC[C@H](C(=O)C1)C(C)C,NFLGAXVYCFJBMK-BDAKNGLRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
26548,4-Hydroxybenzyl cyanide,OtherMutliCpd,Compound,C1=CC(=CC=C1CC#N)O,AYKYOOPFBCOXSL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl cyanides,Benzyl cyanides,none,none,none,none,none,none
26612,3-Hydroxydecanoic acid,OtherMutliCpd,Compound,CCCCCCCC(CC(=O)O)O,FYSSBMZUBSBFJL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
26613,3-HYDROXYOCTANOIC ACID,OtherMutliCpd,Compound,CCCCCC(CC(=O)O)O,NDPLAKGOSZHTPH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
26757,selegiline,Drug,Compound,C[C@H](CC1=CC=CC=C1)N(C)CC#C,MEZLKOACVSPNER-GFCCVEGCSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
26818,i-Urobilinogen,OtherMutliCpd,Compound,CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C,OBHRVMZSZIDDEK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
26840,PHYTANIC ACID,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O,RLCKHJSFHOZMDR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
26934,Norephedrine,OtherMutliCpd,Compound,C[C@H]([C@H](C1=CC=CC=C1)O)N,DLNKOYKMWOXYQA-VXNVDRBHSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
26937,Clobutinol,OtherMutliCpd,Compound,CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O,KVHHQGIIZCJATJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
26945,heme,OtherMutliCpd,Compound,CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)O)CCC(=O)O.[Fe+2],KABFMIBPWCXCRK-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Metallotetrapyrroles,Metalloporphyrins,none,none,none,none,none,none
26948,Rutamarin,OtherMutliCpd,Compound,CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C,AWMHMGFGCLBSAY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
26987,clemastine,Drug,Compound,C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C,YNNUSGIPVFPVBX-NHCUHLMSSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
27178,Calcium myristate,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Ca+2],LSFBQOPXRBJSSI-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
27208,beta-Bisabolol,OtherMutliCpd,Compound,CC1=CCC(CC1)(C(C)CCC=C(C)C)O,WTVHAMTYZJGJLJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
27296,NSC157921,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C,FLRPNSKUGCVRRB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
27350,PANCURONIUM BROMIDE,Drug,Compound,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-],NPIJXCQZLFKBMV-YTGGZNJNSA-L,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
27447,cephalexin,Drug,Compound,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O,ZAIPMKNFIOOWCQ-UEKVPHQBSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
27476,1-Methyladenosine,OtherMutliCpd,Compound,CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,GFYLSDSUCHVORB-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
27641,Blastin,OtherMutliCpd,Compound,C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,RVCKCEDKBVEEHL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
27661,ISOSORBIDE MONONITRATE,Drug,Compound,C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O,YWXYYJSYQOXTPL-SLPGGIOYSA-N,Organic compounds,Organoheterocyclic compounds,Furofurans,Isosorbides,Isosorbides,none,none,none,none,none,none
27694,O-Methylcorypalline,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1)OC)OC,TXPPKWZEHFNZOE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
27867,Menthyl acetate,OtherMutliCpd,Compound,CC1CCC(C(C1)OC(=O)C)C(C)C,XHXUANMFYXWVNG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
27902,N-(2-Hydroxyethyl)octadecanamide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)NCCO,OTGQIQQTPXJQRG-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
27975,3-HYDROXYCARBOFURAN,OtherMutliCpd,Compound,CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C,RHSUJRQZTQNSLL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Coumarans,none,Coumarans,none,none,none,none,none,none
27991,Adiuretin SD,Drug,Compound,C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,NFLWUMRGJYTJIN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
27999,Carbofuran-3-keto,OtherMutliCpd,Compound,CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C,WXNZYYXXILQTKX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
28204,CALUSTERONE,OtherMutliCpd,Compound,C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C,IVFYLRMMHVYGJH-PVPPCFLZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
28292,Edifenphos,OtherMutliCpd,Compound,CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2,AWZOLILCOUMRDG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
28417,danazol,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5,POZRVZJJTULAOH-LHZXLZLDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrane steroids,none,none,none,none,none,none
28425,BENZOCTAMINE,OtherMutliCpd,Compound,CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24,GNRXCIONJWKSEA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
28495,DIBOA,OtherMutliCpd,Compound,C1=CC=C2C(=C1)N(C(=O)C(O2)O)O,COVOPZQGJGUPEY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Benzoxazinones,Benzoxazinones,none,none,none,none,none,none
28780,BENOMYL,OtherMutliCpd,Compound,CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC,RIOXQFHNBCKOKP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,2-benzimidazolylcarbamic acid esters,2-benzimidazolylcarbamic acid esters,none,none,none,none,none,none
29839,"2	3-Dihydro-5-methyl-2-benzofuranmethylamine hydrochloride",OtherMutliCpd,Compound,CC1=CC2=C(C=C1)OC(C2)C[NH3+].[Cl-],HWXTXJHVPJXFLQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Coumarans,none,Coumarans,none,none,none,none,none,none
30181,20547-99-3,OtherMutliCpd,Compound,CC1CC(=O)CC(C1=O)(C)C,HVHHZSFNAYSPSA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
30249,"3	7-Dimethyloctyl acetate",OtherMutliCpd,Compound,CC(C)CCCC(C)CCOC(=O)C,XFPXWDJICXBWRU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
30323,daunorubicin,Drug,Compound,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O,STQGQHZAVUOBTE-VGBVRHCVSA-N,Organic compounds,Phenylpropanoids and polyketides,Anthracyclines,none,Anthracyclines,none,none,none,none,none,none
30364,4-METHYLDIBENZOTHIOPHENE,OtherMutliCpd,Compound,CC1=CC=CC2=C1SC3=CC=CC=C23,NICUQYHIOMMFGV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiophenes,Dibenzothiophenes,Dibenzothiophenes,none,none,none,none,none,none
30771,2-Cyclohexylethyl acetate,OtherMutliCpd,Compound,CC(=O)OCCC1CCCCC1,NOTFZGFABLVTIG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
30819,O-Phospho-L-tyrosine,OtherMutliCpd,Compound,C1=CC(=CC=C1C[C@@H](C(=O)O)N)OP(=O)(O)O,DCWXELXMIBXGTH-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
31070,FENAMIPHOS,OtherMutliCpd,Compound,CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C,ZCJPOPBZHLUFHF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxy compounds,Phenoxy compounds,none,none,none,none,none,none
31100,BROMOCRIPTINE MESYLATE,Drug,Compound,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,NOJMTMIRQRDZMT-GSPXQYRGSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Lysergic acids and derivatives,Lysergamides,none,none,none,none,none,none
31161,Pedalitin,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O,QWUHUBDKQQPMQG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
31208,4-Hydroxydiphenylamine,OtherMutliCpd,Compound,C1=CC=C(C=C1)NC2=CC=C(C=C2)O,JTTMYKSFKOOQLP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
31210,Butyl phenylacetate,OtherMutliCpd,Compound,CCCCOC(=O)CC1=CC=CC=C1,LDOXTQYWWYXYSQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
31211,Vanillylacetone,OtherMutliCpd,Compound,CC(=O)CCC1=CC(=C(C=C1)O)OC,OJYLAHXKWMRDGS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
31219,BENZYL PROPIONATE,OtherMutliCpd,Compound,CCC(=O)OCC1=CC=CC=C1,VHOMAPWVLKRQAZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
31225,2-Phenylethyl propionate,OtherMutliCpd,Compound,CCC(=O)OCCC1=CC=CC=C1,HVGZQCSMLUDISR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
31226,3-Phenylpropyl acetate,OtherMutliCpd,Compound,CC(=O)OCCCC1=CC=CC=C1,JRJGKUTZNBZHNK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
31229,PHENYL ACETATE,OtherMutliCpd,Compound,CC(=O)OC1=CC=CC=C1,IPBVNPXQWQGGJP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
31231,4-Methoxyphenylacetone,OtherMutliCpd,Compound,CC(=O)CC1=CC=C(C=C1)OC,WFWKNGZODAOLEO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
31234,3-Phenylpropan-1-ol,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCO,VAJVDSVGBWFCLW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
31236,2-PHENOXYETHANOL,OtherMutliCpd,Compound,C1=CC=C(C=C1)OCCO,QCDWFXQBSFUVSP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
31242,4-ETHYLPHENOL,OtherMutliCpd,Compound,CCC1=CC=C(C=C1)O,HXDOZKJGKXYMEW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
31244,4-Methoxybenzaldehyde,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C=O,ZRSNZINYAWTAHE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
31245,2-Methylpentanal,OtherMutliCpd,Compound,CCCC(C)C=O,FTZILAQGHINQQR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
31246,4-Heptanone,OtherMutliCpd,Compound,CCCC(=O)CCC,HCFAJYNVAYBARA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
31251,ETHYL NONANOATE,OtherMutliCpd,Compound,CCCCCCCCC(=O)OCC,BYEVBITUADOIGY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
31256,Diacetone alcohol,OtherMutliCpd,Compound,CC(=O)CC(C)(C)O,SWXVUIWOUIDPGS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Beta-hydroxy ketones,none,none,none,none,none
31260,3-Methyl-1-butanol,OtherMutliCpd,Compound,CC(C)CCO,PHTQWCKDNZKARW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
31261,"2	4-Pentanedione",OtherMutliCpd,Compound,CC(=O)CC(=O)C,YRKCREAYFQTBPV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,Beta-diketones,none,none,none,none,none
31265,Ethyl caproate,OtherMutliCpd,Compound,CCCCCC(=O)OCC,SHZIWNPUGXLXDT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
31271,Dioctyl adipate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,NEHDRDVHPTWWFG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
31272,Butyl acetate,OtherMutliCpd,Compound,CCCCOC(=O)C,DKPFZGUDAPQIHT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
31275,"1	4-DIOXANE",OtherMutliCpd,Compound,C1COCCO1,RYHBNJHYFVUHQT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxanes,1--4-dioxanes,1--4-dioxanes,none,none,none,none,none,none
31276,ISOAMYL ACETATE,OtherMutliCpd,Compound,CC(C)CCOC(=O)C,MLFHJEHSLIIPHL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
31278,BUTYL STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCCCC,ULBTUVJTXULMLP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
31283,Ethyl tetradecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OCC,MMKRHZKQPFCLLS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
31284,Methyl tetradecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC,ZAZKJZBWRNNLDS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
31289,NONANAL,OtherMutliCpd,Compound,CCCCCCCCC=O,GYHFUZHODSMOHU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
31291,TETRADECANAL,OtherMutliCpd,Compound,CCCCCCCCCCCCCC=O,UHUFTBALEZWWIH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
31307,triamcinolone,Drug,Compound,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O,GFNANZIMVAIWHM-OBYCQNJPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
31353,Linalyl benzoate,OtherMutliCpd,Compound,CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C,BTJXBZZBBNNTOV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
31378,fludrocortisone,Drug,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F,AAXVEMMRQDVLJB-BULBTXNYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
31401,URSODEOXYCHOLIC ACID,Drug,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,RUDATBOHQWOJDD-UZVSRGJWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
31404,"2	6-Di-tert-butyl-4-methylphenol",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,NLZUEZXRPGMBCV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
31408,Nopol,OtherMutliCpd,Compound,CC1(C2CC=C(C1C2)CCO)C,ROKSAUSPJGWCSM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
31477,Metipranolol,Drug,Compound,CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O,BQIPXWYNLPYNHW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
31509,AC1L1LQZ,OtherMutliCpd,Compound,CCC1=C(NC2=C1C(=O)C(CC2)CN3CCCCC3)C,XVOGXJDOZKYLGW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
31703,doxorubicin,Drug,Compound,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,AOJJSUZBOXZQNB-TZSSRYMLSA-N,Organic compounds,Phenylpropanoids and polyketides,Anthracyclines,none,Anthracyclines,none,none,none,none,none,none
31721,4-Methoxyamphetamine,OtherMutliCpd,Compound,CC(CC1=CC=C(C=C1)OC)N,NEGYEDYHPHMHGK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
31889,Iron(II) citrate,OtherMutliCpd,Compound,C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Fe+2],APVZWAOKZPNDNR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
32065,23747-48-0,OtherMutliCpd,Compound,CC1CCC2=NC=CN=C12,YZEFQPIMXZVPKP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
32872,ISOFENPHOS,OtherMutliCpd,Compound,CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C,HOQADATXFBOEGG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
32881,Polypropylene glycol,OtherMutliCpd,Compound,CC(CO)OCC(C)O,DUFKCOQISQKSAV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
32893,Levamfetamine,OtherMutliCpd,Compound,C[C@H](CC1=CC=CC=C1)N,KWTSXDURSIMDCE-MRVPVSSYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
33032,L-glutamic acid,OtherMutliCpd,Compound,C(CC(=O)O)[C@@H](C(=O)O)N,WHUUTDBJXJRKMK-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
33036,DEXCHLORPHENIRAMINE,Drug,Compound,CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2,SOYKEARSMXGVTM-HNNXBMFYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pheniramines,Pheniramines,none,none,none,none,none,none
33037,D-glucaric acid,OtherMutliCpd,Compound,[C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O,DSLZVSRJTYRBFB-LLEIAEIESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
33294,Iprobenfos,OtherMutliCpd,Compound,CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1,FCOAHACKGGIURQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
33346,4'-Carbomethoxyphenyl 4-guanidinobenzoate,OtherMutliCpd,Compound,COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N,NIBWPUGZCXNNPC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
33503,"2	2-dimethylundecanoic acid",OtherMutliCpd,Compound,CCCCCCCCCC(C)(C)C(=O)O,OTOBIMFBDYITLZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
33613,amoxicillin,Drug,Compound,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,LSQZJLSUYDQPKJ-NJBDSQKTSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Penams,Penicillins,none,none,none,none,none
33637,2-Methylanisole,OtherMutliCpd,Compound,CC1=CC=CC=C1OC,DTFKRVXLBCAIOZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
33701,Botryodiplodin,OtherMutliCpd,Compound,CC1C(COC1O)C(=O)C,CLYSZQBIUYRLNX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
33741,Tramadol,Drug,Compound,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,TVYLLZQTGLZFBW-ZBFHGGJFSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
33931,2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone,OtherMutliCpd,Compound,CCC1C(=O)C(=C(O1)C)O,GWCRPYGYVRXVLI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
34222,"4	8-Dimethylquinoline",OtherMutliCpd,Compound,CC1=C2C=CC=C(C2=NC=C1)C,DULGUAMZWACUFO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
34227,o-Anisidinoacetonitrile,OtherMutliCpd,Compound,COC1=CC=CC=C1NCC#N,YLHGOLRGUDDMDW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Aminophenyl ethers,Aminophenyl ethers,none,none,none,none,none,none
34231,enterobactin,OtherMutliCpd,Compound,C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O,SERBHKJMVBATSJ-BZSNNMDCSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
34286,2-Methyl-3-furanthiol,OtherMutliCpd,Compound,CC1=C(C=CO1)S,RUYNUXHHUVUINQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
34312,OXCARBAZEPINE,Drug,Compound,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,CTRLABGOLIVAIY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzazepines,Dibenzazepines,Dibenzazepines,none,none,none,none,none,none
34742,2-methyloxolan-3-ol,OtherMutliCpd,Compound,CC1C(CCO1)O,ZFVWBUVYNPLIIS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
34756,S-adenosylmethionine,OtherMutliCpd,Compound,C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,MEFKEPWMEQBLKI-AIRLBKTGSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,5'-deoxy-5'-thionucleosides,5'-deoxy-5'-thionucleosides,none,none,none,none,none,none
34766,Ethiofencarb,OtherMutliCpd,Compound,CCSCC1=CC=CC=C1OC(=O)NC,HEZNVIYQEUHLNI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenyl methylcarbamates,Phenyl methylcarbamates,none,none,none,none,none,none
34857,4-Ethyl-o-cresol,OtherMutliCpd,Compound,CCC1=CC(=C(C=C1)O)C,QDQMEHXIUFCIGR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Ortho cresols,none,none,none,none,none,none
36081,4-tert-Butylcyclohexyl acetate,OtherMutliCpd,Compound,CC(=O)OC1CCC(CC1)C(C)(C)C,MBZRJSQZCBXRGK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
36247,Isohexadecanoic acid,OtherMutliCpd,Compound,CC(C)CCCCCCCCCCCCC(=O)O,ZONJATNKKGGVSU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
36284,4-Ipomeanol,OtherMutliCpd,Compound,CC(CCC(=O)C1=COC=C1)O,RJYQLMILDVERHH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
36339,Etomidate,Drug,Compound,CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2,NPUKDXXFDDZOKR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Imidazoles,Substituted imidazoles,Carbonylimidazoles,none,none,none,none,none
36450,BRN 0504029,OtherMutliCpd,Compound,CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)OC)C4=CC=CC=C4,ZTJKTXAAJKSBKX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
36462,etoposide,Drug,Compound,C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O,VJJPUSNTGOMMGY-MRVIYFEKSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan lactones,Podophyllotoxins,Podophyllotoxins,none,none,none,none,none,none
36599,3-HYDROXYNONANOIC ACID,OtherMutliCpd,Compound,CCCCCCC(CC(=O)O)O,XBUXARJOYUQNTC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
36811,dobutamine,Drug,Compound,CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O,JRWZLRBJNMZMFE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,Catecholamines and derivatives,none,none,none,none,none
36822,"5	6	7	8-TETRAHYDROQUINOXALINE",OtherMutliCpd,Compound,C1CCC2=NC=CN=C2C1,XCZPDOCRSYZOBI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
36937,Norsalsolinol,OtherMutliCpd,Compound,C1CNCC2=CC(=C(C=C21)O)O,MBFUSGLXKQWVDW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
37123,DIFLUBENZURON,OtherMutliCpd,Compound,C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F,QQQYTWIFVNKMRW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,N-phenylureas,N-acyl-phenylureas,N-benzoyl-N'-phenylureas,none,none,none,none,none
37392,HALOFANTRINE HYDROCHLORIDE,Drug,Compound,CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl,WANGFTDWOFGECH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,none,Phenanthrenes and derivatives,none,none,none,none,none,none
37542,ribavirin,Drug,Compound,C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,IWUCXVSUMQZMFG-AFCXAGJDSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Triazole ribonucleosides and ribonucleotides,none,Triazole ribonucleosides and ribonucleotides,none,none,none,none,none,none
37764,"2-Methyl-6	7-dihydroxy-1	2	3	4-tetrahydroisoquinoline",OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1)O)O,WETXYFNVBDLWIW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
37982,HENTRIACONTANOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,ONLMUMPTRGEPCH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
38222,"Benzenesulfonic acid	 undecyl-",OtherMutliCpd,Compound,CCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O,UCDCOJNNUVYFKJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Benzenesulfonic acids and derivatives,none,none,none,none,none,none
38386,UNII-3L996AWV6J,OtherMutliCpd,Compound,C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br,ARERIMFZYPFJAV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Bromodiphenyl ethers,none,none,none,none,none,none
38679,3-Mercapto-2-butanone,OtherMutliCpd,Compound,CC(C(=O)C)S,XLMPYCGSRHSSSX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
38762,ETHYL PENTADECANOATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OCC,PTEYJUIKYIKULL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
38852,alpha-Methyldopa sesquihydrate,Drug,Compound,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,YKFCISHFRZHKHY-NGQGLHOPSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
38853,methyldopa,OtherMutliCpd,Compound,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N,CJCSPKMFHVPWAR-JTQLQIEISA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
38904,carboplatin,Drug,Compound,C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt],DVQHYTBCTGYNNN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
39042,bezafibrate,Drug,Compound,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,IIBYAHWJQTYFKB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
39147,nadolol,Drug,Compound,CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O,VWPOSFSPZNDTMJ-UCWKZMIHSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
39186,diltiazem,Drug,Compound,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,HSUGRBWQSSZJOP-RTWAWAEBSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazepines,none,Benzothiazepines,none,none,none,none,none,none
39468,LEVOBUNOLOL,Drug,Compound,CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O,IXHBTMCLRNMKHZ-LBPRGKRZSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
39764,VECURONIUM BROMIDE,Drug,Compound,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-],VEPSYABRBFXYIB-PWXDFCLTSA-M,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
40303,7-Hydroxymyoporone,OtherMutliCpd,Compound,CC(C)C(C(=O)CC(C)CCC(=O)C1=COC=C1)O,HCPDJZNVPUCXHZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
40463,CIS-PERMETHRIN,Drug,Compound,CC1([C@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,RLLPVAHGXHCWKJ-HKUYNNGSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Pyrethroids,none,none,none,none,none,none
40634,trolox,OtherMutliCpd,Compound,CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)O)C)O,GLEVLJDDWXEYCO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
40692,mefloquine,Drug,Compound,C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,XEEQGYMUWCZPDN-DOMZBBRYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,4-quinolinemethanols,4-quinolinemethanols,none,none,none,none,none,none
40747,Menadiol dibutyrate,OtherMutliCpd,Compound,CCCC(=O)OC1=CC(=C(C2=CC=CC=C21)OC(=O)CCC)C,TUWJQNVAGYRRHA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
40923,oct-7-en-4-ol,OtherMutliCpd,Compound,CCCC(CCC=C)O,MJWKMORBWQZWOT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
41211,Synadenylic acid,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O,LNQVTSROQXJCDD-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Ribonucleoside 3'-phosphates,none,Ribonucleoside 3'-phosphates,none,none,none,none,none,none
41493,4-Hydroxymyoporone,OtherMutliCpd,Compound,CC(C)CC(=O)CC(C)(CCC(=O)C1=COC=C1)O,SUMMQMXACBFGLA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
41569,"2	5-Dimethylfuran-3-thiol",OtherMutliCpd,Compound,CC1=CC(=C(O1)C)S,DBBHCZMXKBCICL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
41570,FEMA No. 3482,OtherMutliCpd,Compound,CC1=CC(=C(O1)C)SC(=O)CC(C)C,XFNLWIPNTYNNJX-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
41684,NITAZOXANIDE,Drug,Compound,CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-],YQNQNVDNTFHQSW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Acylsalicylic acids and derivatives,Acylsalicylamides,none,none,none
41744,Valrubicin,Drug,Compound,CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O,ZOCKGBMQLCSHFP-ZQUOIQDWSA-N,Organic compounds,Phenylpropanoids and polyketides,Anthracyclines,none,Anthracyclines,none,none,none,none,none,none
41781,Torasemide,Drug,Compound,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,NGBFQHCMQULJNZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinesulfonamides,Pyridinesulfonamides,none,none,none,none,none,none
41867,Epirubicin,Drug,Compound,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,AOJJSUZBOXZQNB-VTZDEGQISA-N,Organic compounds,Phenylpropanoids and polyketides,Anthracyclines,none,Anthracyclines,none,none,none,none,none,none
42586,METALAXYL,OtherMutliCpd,Compound,CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC,ZQEIXNIJLIKNTD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
42890,IDARUBICIN,Drug,Compound,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O,XDXDZDZNSLXDNA-TZNDIEGXSA-N,Organic compounds,Phenylpropanoids and polyketides,Anthracyclines,none,Anthracyclines,none,none,none,none,none,none
42949,4-(4-methylphenyl)pentanoic acid,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)CCC(=O)O,WSXBHPNNXXHZAP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
42978,EGOMAKETONE,OtherMutliCpd,Compound,CC(=CCC(=O)C1=COC=C1)C,MGIXHQSSTZKVOO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
43045,Menthol acetoacetate,OtherMutliCpd,Compound,C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CC(=O)C)C(C)C,QSVQIPXQOCAWHP-UHTWSYAYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
43046,p-Cresyl caprylate,OtherMutliCpd,Compound,CCCCCCCC(=O)OC1=CC=C(C=C1)C,ALRYNTSLFYRKGF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
43226,FENARIMOL,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl,NHOWDZOIZKMVAI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
43232,Narilet,Drug,Compound,CC(C)[N+]1([C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C,OEXHQOGQTVQTAT-IPHBXJNRSA-N,Organic compounds,Alkaloids and derivatives,Tropane alkaloids,none,Tropane alkaloids,none,none,none,none,none,none
43263,2-Pentyl butyrate,OtherMutliCpd,Compound,CCCC(C)OC(=O)CCC,DJOCFLQKCMWABC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
43579,61197-09-9,OtherMutliCpd,Compound,CCCSSC1=C(OC=C1)C,YFPPCUTVJGGSQC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
43595,Deoxyschizandrin,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC,JEJFTTRHGBKKEI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
43598,61295-41-8,OtherMutliCpd,Compound,CCCC(=O)C(CC)SC1=C(OC=C1)C,GFRRQSASJZMMJC-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
43672,piperacillin,Drug,Compound,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,IVBHGBMCVLDMKU-GXNBUGAJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
43866,AC1L2AOC,OtherMutliCpd,Compound,CC1C2CCC3=C4CCC(C4(CCC3C2(CCC1O)C)C)C(C)CCCC(C)C,UIPYFONRKZTOIY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
44073,Acifluorfen,OtherMutliCpd,Compound,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,NUFNQYOELLVIPL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
44093,captopril,Drug,Compound,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,FAKRSMQSSFJEIM-RQJHMYQMSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
44187,cefoperazone,Drug,Compound,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,GCFBRXLSHGKWDP-XCGNWRKASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
44564,Lodoxamide,Drug,Compound,C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N,RVGLGHVJXCETIO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
46818,"ATROPIC ACID	 2-(DIETHYLAMINO)ETHYL ESTER HYDROCHLORIDE",OtherMutliCpd,Compound,CC[NH+](CC)CCOC(=O)C(=C)C1=CC=CC=C1.[Cl-],VIBYZASVNHEHTK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
47289,NNK (carcinogen),OtherMutliCpd,Compound,CN(CCCC(=O)C1=CN=CC=C1)N=O,FLAQQSHRLBFIEZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
47319,Atracurium,Drug,Compound,C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C,YXSLJKQTIDHPOT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
47364,ARSENOBETAINE,OtherMutliCpd,Compound,C[As+](C)(C)CC(=O)[O-],SPTHHTGLGVZZRH-UHFFFAOYSA-N,Organic compounds,Organometallic compounds,Organometalloid compounds,Organoarsenic compounds,Tetraorganoarsonium salts,none,none,none,none,none,none
47576,ketoconazole,OtherMutliCpd,Compound,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,XMAYWYJOQHXEEK-ZEQKJWHPSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,Phenylpiperazines,none,none,none,none,none,none
47579,N-Phenylacetylphenylalanine,OtherMutliCpd,Compound,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2,LIIPHJDKZNTNII-HNNXBMFYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
47649,Methyl 2-methyl-3-furyl disulfide,OtherMutliCpd,Compound,CC1=C(C=CO1)SSC,SRUTWBWLFKSTIS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
47725,Gosereline,Drug,Compound,CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,BLCLNMBMMGCOAS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
47795,BW-755C,OtherMutliCpd,Compound,C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F,CPXGGWXJNQSFEP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Trifluoromethylbenzenes,Trifluoromethylbenzenes,none,none,none,none,none,none
47811,pergolide,Drug,Compound,CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC,YEHCICAEULNIGD-MZMPZRCHSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Indoloquinolines,Indoloquinolines,none,none,none,none,none,none
47945,Dihydro-7-hydroxymyoporone,OtherMutliCpd,Compound,CC(C)C(C(CC(C)CCC(=O)C1=COC=C1)O)O,PRLJTIPWGNRUNG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
47964,Cefadroxil monohydrate,Drug,Compound,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O.O,NBFNMSULHIODTC-CYJZLJNKSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
49970,Glu-P-2,OtherMutliCpd,Compound,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,BUXVIXBGMQXWGT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyridines,none,Imidazopyridines,none,none,none,none,none,none
49971,Glu-P-1,OtherMutliCpd,Compound,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,AYLURHVFAYRSHT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyridines,none,Imidazopyridines,none,none,none,none,none,none
50006,"1	5-Dimethylhexyl acetate",OtherMutliCpd,Compound,CC(C)CCCC(C)OC(=O)C,JNRDWRMJYGDQQE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
50200,Mollicellin C,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3O)OC)C(=O)C=C(C)C)C)C=O)O,RPSLZGPKLQLZGH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
50201,Mollicellin E,OtherMutliCpd,Compound,CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3C)C(=O)C=C(C)C)OC)O)OC2=O,JTGLZOMMRQOKBM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
50224,Buserelin acetate,Drug,Compound,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,PYMDEDHDQYLBRT-DRIHCAFSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
50294,NEDOCROMIL,Drug,Compound,CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O,RQTOOFIXOKYGAN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromenopyridines,none,none,none,none,none,none
50591,1H-Indol-3-ol,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)O,PCKPVGOLPKLUHR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
50599,didanosine,Drug,Compound,C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O,BXZVVICBKDXVGW-NKWVEPMBSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,Purine 2'--3'-dideoxyribonucleosides,Purine 2'--3'-dideoxyribonucleosides,none,none,none,none,none,none
50969,"3	7-Dimethyl-6-methoxy-8-isochromanol",OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2CO1)O)C)OC,OQMJILQCXYKZEM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,2-benzopyrans,2-benzopyrans,none,none,none,none,none,none
51038,Cefaclor monohydrate,Drug,Compound,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl.O,WKJGTOYAEQDNIA-IOOZKYRYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
51263,ALFENTANIL,Drug,Compound,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC,IDBPHNDTYPBSNI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Anilides,none,none,none,none,none,none
51551,6-Myoporol,OtherMutliCpd,Compound,CC(C)CC(CC(C)CCC(=O)C1=COC=C1)O,BROZQMCDYUJKFQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
52239,NSC125205,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)O)N=C(N)N=C(N)N,SQVQYPFROZNYOG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Guanidinobenzoic acids and derivatives,Guanidinobenzoic acids,none,none,none,none
52438,"2	3-Dimethyl-7-methoxy-8-morpholinochromone hydrochloride",OtherMutliCpd,Compound,CC1=C(OC2=C(C1=O)C=CC(=C2[NH+]3CCOCC3)OC)C.[Cl-],URGONFZGZXWZAA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
53462,76180-96-6,OtherMutliCpd,Compound,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,ARZWATDYIYAUTA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
54384,LEVOCABASTINE HYDROCHLORIDE,Drug,Compound,C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl,OICFWWJHIMKBCD-SFUPJVRMSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Phenylpiperidines,Phenylpiperidines,none,none,none,none,none,none
54456,525-72-4,OtherMutliCpd,Compound,CC1C2=CC(=C(C=C2CCN1)O)O,IBRKLUSXDYATLG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
54575,Pteroyl-D-glutamic acid,OtherMutliCpd,Compound,C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O,VVIAGPKUTFNRDU-ZGTCLIOFSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
54687,pravastatin,Drug,Compound,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,TUZYXOIXSAXUGO-PZAWKZKUSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
54746,cabergoline,Drug,Compound,CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C,KORNTPPJEAJQIU-KJXAQDMKSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Lysergic acids and derivatives,Lysergic acids and derivatives,none,none,none,none,none,none
54840,Atomoxetine HCL,Drug,Compound,CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl,LUCXVPAZUDVVBT-UNTBIKODSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
54889,MOEXIPRIL HYDROCHLORIDE,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC.Cl,JXRAXHBVZQZSIC-JKVLGAQCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
54891,QUINAPRIL HYDROCHLORIDE,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O.Cl,IBBLRJGOOANPTQ-JKVLGAQCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
55463,NEFLUMOZIDE,OtherMutliCpd,Compound,C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4=NOC5=C4C=CC(=C5)F,VEUGOXRZHKYDED-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzisoxazoles,none,Benzisoxazoles,none,none,none,none,none,none
55466,Magnevist,OtherMutliCpd,Compound,CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3],LGMLJQFQKXPRGA-VPVMAENOSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Pentacarboxylic acids and derivatives,Pentacarboxylic acids and derivatives,none,none,none,none,none,none
55480,AC1L1J67,Drug,Compound,CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])C2=CC=CC=C2.[Cl-],XNCDYJFPRPDERF-PBCQUBLHSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetamides,Phenylacetamides,none,none,none,none,none,none
55891,fosinopril,Drug,Compound,CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3,BIDNLKIUORFRQP-FKDWWROVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
56052,RACTOPAMINE,OtherMutliCpd,Compound,CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O,YJQZYXCXBBCEAQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
56208,Sarafloxacin,OtherMutliCpd,Compound,C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F,XBHBWNFJWIASRO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Phenylquinolines,Phenylquinolines,none,none,none,none,none,none
56329,CILAZAPRIL MONOHYDRATE,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O.O,JQRZBPFGBRIWSN-YOTVLOEGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
56875,BRN 2534931,OtherMutliCpd,Compound,CCCCN(CCCC)CCOCC(C1=CC=CC=C1)O,HFQFJHMPNGIORM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
57449,D-Lysine,OtherMutliCpd,Compound,C(CCN)C[C@H](C(=O)O)N,KDXKERNSBIXSRK-RXMQYKEDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,D-alpha-amino acids,none,none,none
57469,IMIQUIMOD,Drug,Compound,CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N,DOUYETYNHWVLEO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Imidazoquinolines,Imidazoquinolines,none,none,none,none,none,none
58442,1-phenylethyl N-(2-diethylaminoethyl)carbamate,OtherMutliCpd,Compound,CCN(CC)CCNC(=O)OC(C)C1=CC=CC=C1,XNXCBINREPMNKO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
59768,ESMOLOL,Drug,Compound,CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O,AQNDDEOPVVGCPG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
60164,ADAPALENE,Drug,Compound,COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5,LZCDAPDGXCYOEH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
60695,AC1L1TQK,Drug,Compound,CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CCC4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-],OYTJKRAYGYRUJK-FKEZLKRZSA-M,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
60699,TOPOTECAN HYDROCHLORIDE,Drug,Compound,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O.Cl,DGHHQBMTXTWTJV-BQAIUKQQSA-N,Organic compounds,Alkaloids and derivatives,Camptothecins,none,Camptothecins,none,none,none,none,none,none
60720,((Propylethylene)bis(p-phenyleneoxyethylene))bis(trimethylammonium iodide),OtherMutliCpd,Compound,CCCC(CC1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OCC[N+](C)(C)C.[I-].[I-],GUFOYWWEQUKYHB-UHFFFAOYSA-L,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
60726,Bromfenac,Drug,Compound,C1=CC(=C(C(=C1)CC(=O)O)N)C(=O)C2=CC=C(C=C2)Br,ZBPLOVFIXSTCRZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
60753,Ibutilide,Drug,Compound,CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,ALOBUEHUHMBRLE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
60772,Valacyclovir hydrochloride,Drug,Compound,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl,ZCDDBUOENGJMLV-QRPNPIFTSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
60774,Tolterodine [INN],Drug,Compound,CC1=CC(=C(C=C1)O)[C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,OOGJQPCLVADCPB-FQEVSTJZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
60779,Vinorelbine tartrate,Drug,Compound,CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,CILBMBUYJCWATM-NPJYPKOYSA-N,Organic compounds,Alkaloids and derivatives,Vinca alkaloids,none,Vinca alkaloids,none,none,none,none,none,none
60795,Aripiprazole,Drug,Compound,C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,CEUORZQYGODEFX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,Phenylpiperazines,none,none,none,none,none,none
60822,ATORVASTATIN CALCIUM,Drug,Compound,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2],FQCKMBLVYCEXJB-MNSAWQCASA-L,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Phenylpyrroles,Diphenylpyrroles,none,none,none,none,none
60823,atorvastatin,OtherMutliCpd,Compound,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,XUKUURHRXDUEBC-KAYWLYCHSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Phenylpyrroles,Diphenylpyrroles,none,none,none,none,none
60837,IRINOTECAN HYDROCHLORIDE Trihydrate,Drug,Compound,CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl,KLEAIHJJLUAXIQ-JDRGBKBRSA-N,Organic compounds,Alkaloids and derivatives,Camptothecins,none,Camptothecins,none,none,none,none,none,none
60843,Alimta,Drug,Compound,C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O,WBXPDJSOTKVWSJ-CYBMUJFWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
60846,valsartan,Drug,Compound,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,ACWBQPMHZXGDFX-QFIPXVFZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Valine and derivatives,none,none,none,none
60857,zolmitriptan,Drug,Compound,CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3,ULSDMUVEXKOYBU-ZDUSSCGKSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
60871,ADEFOVIR DIPIVOXIL,Drug,Compound,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C,WOZSCQDILHKSGG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
60934,Saquinavir mesylate,Drug,Compound,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O,IRHXGOXEBNJUSN-YOXDLBRISA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxamides,Quinoline carboxamides,none,none,none,none,none,none
60946,Tirofiban hydrochloride monohydrate,Drug,Compound,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl,HWAAPJPFZPHHBC-FGJQBABTSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
60960,L-Cysteine hydrochloride,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)S.Cl,IFQSXNOEEPCSLW-DKWTVANSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
60961,adenosine,Drug,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,OIRDTQYFTABQOQ-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
60962,PHENYLHYDRAZINE HYDROCHLORIDE,OtherMutliCpd,Compound,C1=CC=C(C=C1)NN.Cl,JOVOSQBPPZZESK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylhydrazines,Phenylhydrazines,none,none,none,none,none,none
60979,Ethyl 4-methoxybenzoate,OtherMutliCpd,Compound,CCOC(=O)C1=CC=C(C=C1)OC,FHUODBDRWMIBQP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
60983,"2	3-HEPTANEDIONE",OtherMutliCpd,Compound,CCCCC(=O)C(=O)C,FJPGAMCQJNLTJC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
60990,4-Methylhydratropaldehyde,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)C=O,JTZWVKUZBNHSSW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
60995,"(2	2-Dimethoxyethyl)benzene",OtherMutliCpd,Compound,COC(CC1=CC=CC=C1)OC,WNJSKZBEWNVKGU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
60997,p-Tolyl phenylacetate,OtherMutliCpd,Compound,CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2,OJEQSSJFSNLMLB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
60998,Isobutyl phenylacetate,OtherMutliCpd,Compound,CC(C)COC(=O)CC1=CC=CC=C1,RJASFPFZACBKBE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
60999,Benzyl phenylacetate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2,MIYFJEKZLFWKLZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
61005,Phenoxyethyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OCCOC1=CC=CC=C1,MJTPMXWJHPOWGH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
61006,104-09-6,OtherMutliCpd,Compound,CC1=CC=C(C=C1)CC=O,CIXAYNMKFFQEFU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
61007,4-(4-Methoxyphenyl)-2-butanone,OtherMutliCpd,Compound,CC(=O)CCC1=CC=C(C=C1)OC,PCBSXBYCASFXTM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
61010,3-Phenylpropyl formate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCOC=O,AMHRXSOVSAQOKL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61014,Ethylene brassylate,OtherMutliCpd,Compound,C1CCCCCC(=O)OCCOC(=O)CCCCC1,XRHCAGNSDHCHFJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
61015,Butyl laurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCCCC,NDKYEUQMPZIGFN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61016,"2	6-Dimethyl-5-heptenal",OtherMutliCpd,Compound,CC(CCC=C(C)C)C=O,YGFGZTXGYTUXBA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
61020,3-Methyl-2-butenal,OtherMutliCpd,Compound,CC(=CC=O)C,SEPQTYODOKLVSB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated aldehydes,Enals,none,none,none,none
61024,Octyl isobutyrate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)C(C)C,PQCYCHFQWMNQRJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
61026,Diethylene glycol distearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC,YKDMBTQVKVEMSA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61030,Octyl butyrate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)CCC,PWLNAUNEAKQYLH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
61031,2-Methylundecanal,OtherMutliCpd,Compound,CCCCCCCCCC(C)C=O,NFAVNWJJYQAGNB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
61041,Safranal,OtherMutliCpd,Compound,CC1=C(C(CC=C1)(C)C)C=O,SGAWOGXMMPSZPB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
61045,"2	6-Dimethylthiophenol",OtherMutliCpd,Compound,CC1=C(C(=CC=C1)C)S,QCLJODDRBGKIRW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Thiophenols,none,Thiophenols,none,none,none,none,none,none
61048,Isobutyl benzoate,OtherMutliCpd,Compound,CC(C)COC(=O)C1=CC=CC=C1,KYZHGEFMXZOSJN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
61050,Octyl phenylacetate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)CC1=CC=CC=C1,VGYPAVUJUMQTGE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
61052,3-Phenylpropyl propionate,OtherMutliCpd,Compound,CCC(=O)OCCCC1=CC=CC=C1,GTNCESCYZPMXCJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61054,4-Methoxybenzyl formate,OtherMutliCpd,Compound,COC1=CC=C(C=C1)COC=O,XPDORSROGAZEGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
61124,"2	6	6-Trimethyl-1-cyclohexene-1-acetaldehyde",OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)CC=O,VHTFHZGAMYUZEP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
61125,beta-Caryophyllene alcohol,OtherMutliCpd,Compound,CC1(CC2C1CCC3(CCCC2(C3)O)C)C,FUQAYSQLAOJBBC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
61126,VERBENOL,OtherMutliCpd,Compound,CC1=CC(C2CC1C2(C)C)O,WONIGEXYPVIKFS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
61129,Sclareolide,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC3(C2CC(=O)O3)C)C)C,IMKJGXCIJJXALX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
61130,Myrtenal,OtherMutliCpd,Compound,CC1(C2CC=C(C1C2)C=O)C,KMRMUZKLFIEVAO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
61134,Benzyl butyl ether,OtherMutliCpd,Compound,CCCCOCC1=CC=CC=C1,MAYUYFCAPVDYBQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
61137,Butyl pentanoate,OtherMutliCpd,Compound,CCCCC(=O)OCCCC,OKJADYKTJJGKDX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61138,4-PENTENOIC ACID,OtherMutliCpd,Compound,C=CCCC(=O)O,HVAMZGADVCBITI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
61151,Methyl 2-methoxybenzoate,OtherMutliCpd,Compound,COC1=CC=CC=C1C(=O)OC,PFYHAAAQPNMZHO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,O-methoxybenzoic acids and derivatives,none,none,none,none,none
61153,2-Methoxystyrene,OtherMutliCpd,Compound,COC1=CC=CC=C1C=C,SFBTTWXNCQVIEC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
61155,2-Methoxyphenyl acetate,OtherMutliCpd,Compound,CC(=O)OC1=CC=CC=C1OC,BHJHPYFAYGAPLS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
61156,Glyceryl tribenzoate,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3,HIZCTWCPHWUPFU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
61159,o-Tolyl salicylate,OtherMutliCpd,Compound,CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O,KITKATPLNVHGFC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
61166,Furfuryl propionate,OtherMutliCpd,Compound,CCC(=O)OCC1=CC=CO1,LGBXNZSSTFWRFS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
61167,FURFURYL BUTYRATE,OtherMutliCpd,Compound,CCCC(=O)OCC1=CC=CO1,IXISGRHWGVGCAK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61174,Ethylene glycol distearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,FPVVYTCTZKCSOJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61184,Isopropyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC(C)C,FFOPEPMHKILNIT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61185,Amyl octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)OCCCCC,GJWGZSBNFSBUPX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61200,2-Hydroxy-4-methylbenzaldehyde,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C=O)O,JODRRPJMQDFCBJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,Benzaldehydes,Hydroxybenzaldehydes,none,none,none
61202,1-Phenyl-2-pentanol,OtherMutliCpd,Compound,CCCC(CC1=CC=CC=C1)O,FCURFTSXOIATDW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61204,delta-Undecalactone,OtherMutliCpd,Compound,CCCCCCC1CCCC(=O)O1,YZRXRLLRSPQHDK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
61229,4-Formyl-2-methoxyphenyl acetate,OtherMutliCpd,Compound,CC(=O)OC1=C(C=C(C=C1)C=O)OC,PZSJOBKRSVRODF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
61235,3-NONANONE,OtherMutliCpd,Compound,CCCCCCC(=O)CC,IYTXKIXETAELAV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
61240,2-Acetyl-1-methylpyrrole,OtherMutliCpd,Compound,CC(=O)C1=CC=CN1C,NZFLWVDXYUGFAV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
61243,3-Phenylpent-4-enal,OtherMutliCpd,Compound,C=CC(CC=O)C1=CC=CC=C1,XQTAGXUFCZLHIQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61252,Tetrahydrothiophen-3-one,OtherMutliCpd,Compound,C1CSCC1=O,DSXFPRKPFJRPIB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thiolanes,none,Thiolanes,none,none,none,none,none,none
61253,Octyl gallate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O,NRPKURNSADTHLJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
61260,2-Propionylpyrrole,OtherMutliCpd,Compound,CCC(=O)C1=CC=CN1,AEJPPSRYXGEVDT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
61261,2-(Methylthio)phenol,OtherMutliCpd,Compound,CSC1=CC=CC=C1O,SOOARYARZPXNAL-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
61265,N-Butylacetamide,OtherMutliCpd,Compound,CCCCNC(=O)C,GYLDXXLJMRTVSS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Acetamides,none,none,none,none,none
61282,FURFURYL ISOPROPYL SULFIDE,OtherMutliCpd,Compound,CC(C)SCC1=CC=CO1,WCHRNAKORAINOJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
61284,1901-38-8,OtherMutliCpd,Compound,CC1=CCC(C1(C)C)CCO,NPGPPCSBEMHHCR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
61290,Methyl citronellate,OtherMutliCpd,Compound,CC(CCC=C(C)C)CC(=O)OC,ZFLPOPCZMXGUOJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
61293,Ethyl 3-hydroxyhexanoate,OtherMutliCpd,Compound,CCCC(CC(=O)OCC)O,LYRIITRHDCNUHV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
61294,Octyl octanoate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)CCCCCCC,DJNTZVRUYMHBTD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
61296,Isoamyl acetoacetate,OtherMutliCpd,Compound,CC(C)CCOC(=O)CC(=O)C,XHRGPLDMNNGHCX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
61302,4-Phenyl-2-butanol,OtherMutliCpd,Compound,CC(CCC1=CC=CC=C1)O,GDWRKZLROIFUML-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61303,2-PENTADECANONE,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)C,CJPNOLIZCWDHJK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
61304,Heptyl 2-methylpropanoate,OtherMutliCpd,Compound,CCCCCCCOC(=O)C(C)C,RFDUMBPGZUIKOG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
61320,Magnesium dodecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Mg+2],BJZBHTNKDCBDNQ-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
61321,ALUMINUM MYRISTATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Al+3],HSMXEPWDIJUMSS-UHFFFAOYSA-K,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
61325,4077-47-8,OtherMutliCpd,Compound,CC1C(=O)C(=C(O1)C)OC,SIMKGHMLPVDSJE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
61326,MAGNESIUM MYRISTATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Mg+2],DMRBHZWQMKSQGR-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
61331,Guaiacyl phenylacetate,OtherMutliCpd,Compound,COC1=CC=CC=C1OC(=O)CC2=CC=CC=C2,KNVYLIIBQXVDKC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
61337,Allyl 2-furoate,OtherMutliCpd,Compound,C=CCOC(=O)C1=CC=CO1,SJRQTHAMRUOPBJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
61341,4265-16-1,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=C(O2)C=O,ADDZHRRCUWNSCS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
61342,HEPTYL OCTANOATE,OtherMutliCpd,Compound,CCCCCCCC(=O)OCCCCCCC,TZXWLJYLYILFGM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61359,Cortexal,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)CC=O,FSKGFRBHGXIDSA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
61361,Butylphthalide,OtherMutliCpd,Compound,CCCCC1C2=CC=CC=C2C(=O)O1,HJXMNVQARNZTEE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Benzofuranones,Benzofuranones,none,none,none,none,none,none
61375,CYCLOHEXYL PROPIONATE,OtherMutliCpd,Compound,CCC(=O)OC1CCCCC1,MAMMVUWCKMOLSG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
61384,2-Phenylethyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCCC1=CC=CC=C1,BUYNWUMUDHPPDS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61385,2-ISOBUTYLPYRIDINE,OtherMutliCpd,Compound,CC(C)CC1=CC=CC=N1,BBVSPSDWPYWMOR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
61386,Isoamyl laurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCCC(C)C,FVKRIDSRWFEQME-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61400,"3	4-Dimethoxystyrene",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C=C)OC,NJXYTXADXSRFTJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
61402,"benzyl 2	3-dimethylbut-2-enoate",OtherMutliCpd,Compound,CC(=C(C)C(=O)OCC1=CC=CC=C1)C,LHDWSNQMWAZQPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
61403,(2-(1-Propoxyethoxy)ethyl)benzene,OtherMutliCpd,Compound,CCCOC(C)OCCC1=CC=CC=C1,FMYCPRQGKSONCP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61404,"Undecane-2	3-dione",OtherMutliCpd,Compound,CCCCCCCCC(=O)C(=O)C,RMMFUALOIIVORL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
61408,ALLYL 2-ETHYLBUTYRATE,OtherMutliCpd,Compound,CCC(CC)C(=O)OCC=C,NBKXNUWCFMZFMM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61415,Pentyl heptanoate,OtherMutliCpd,Compound,CCCCCCC(=O)OCCCCC,PSQMUBJRXIGVIT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61416,CITRONELLYL VALERATE,OtherMutliCpd,Compound,CCCCC(=O)OCCC(C)CCC=C(C)C,PFOJEJPZUVQHEH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
61417,ANISYL PROPIONATE,OtherMutliCpd,Compound,CCC(=O)OCC1=CC=C(C=C1)OC,YWIJRJQYADFRTL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
61419,AMMONIUM ISOVALERATE,OtherMutliCpd,Compound,CC(C)CC(=O)O.N,RKCHCKMAQPJXBM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
61434,4-Methylphenyl dodecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C,GRSHNQARIXQRDQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
61446,10031-71-7,OtherMutliCpd,Compound,CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1,WCEXWNUHYPYHDN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61447,1-Phenylpropyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC(CC)C1=CC=CC=C1,SNUDRKNHOSAKGS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
61448,2-Ethylbutyl acetate,OtherMutliCpd,Compound,CCC(CC)COC(=O)C,HQLKZWRSOHTERR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
61450,Ethyl 3-(2-furyl)propionate,OtherMutliCpd,Compound,CCOC(=O)CCC1=CC=CO1,OWIWZQQFSTZZIG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61452,Ethyl 4-phenylbutanoate,OtherMutliCpd,Compound,CCOC(=O)CCCC1=CC=CC=C1,GGFNXKFGVQQNRV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61455,Hexyl isovalerate,OtherMutliCpd,Compound,CCCCCCOC(=O)CC(C)C,RSDDTPVXLMVLQE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61464,UNII-48E8S6VRQ8,OtherMutliCpd,Compound,CC(C)(CC1=CC=CC=C1)OC=O,CFSCYYFRHIBXMS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
61466,Ethyl 3-cyclohexylpropanoate,OtherMutliCpd,Compound,CCOC(=O)CCC1CCCCC1,NRVPMFHPHGBQLP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61503,D-Lactic acid,OtherMutliCpd,Compound,C[C@H](C(=O)O)O,JVTAAEKCZFNVCJ-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,none,none,none,none,none,none
61516,3-Methyl-1-phenyl-3-pentanol,OtherMutliCpd,Compound,CCC(C)(CCC1=CC=CC=C1)O,AEJRTNBCFUOSEM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61517,4-Phenyl-2-butyl acetate,OtherMutliCpd,Compound,CC(CCC1=CC=CC=C1)OC(=O)C,IVEWTAOGAGBQGG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
61521,Rhodinyl phenylacetate,OtherMutliCpd,Compound,CC(CCCC(=C)C)CCOC(=O)CC1=CC=CC=C1,SKZDJVXLRPCFQC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
61523,Benzenepentanol,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCCCO,DPZMVZIQRMVBBW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
61527,"3-Acetyl-2	5-dimethylfuran",OtherMutliCpd,Compound,CC1=CC(=C(O1)C)C(=O)C,KBSVBCHYXYXDAG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
61560,Ferric oxide hydrate,OtherMutliCpd,Compound,O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3],QGPQTSCLUYMZHL-UHFFFAOYSA-N,Inorganic compounds,Mixed metal/non-metal compounds,Miscellaneous mixed metal/non-metals,none,Miscellaneous mixed metal/non-metals,none,none,none,none,none,none
61585,CELESTOLIDE,OtherMutliCpd,Compound,CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C,IKTHMQYJOWTSJO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,none,Indanes,none,none,none,none,none,none
61586,4-(Ethoxymethyl)-2-methoxyphenol,OtherMutliCpd,Compound,CCOCC1=CC(=C(C=C1)O)OC,KOCVACNWDMSLBM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
61590,"Ethyl 2	4-dioxohexanoate",OtherMutliCpd,Compound,CCC(=O)CC(=O)C(=O)OCC,JGFBKJBAYISHAG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,3-Acylpyruvic acids,none,none,none,none,none,none
61592,Ethyl 3-(methylthio)propionate,OtherMutliCpd,Compound,CCOC(=O)CCSC,YSNWHRKJEKWJNY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
61633,"3	4-Dimethyl-1	2-cyclopentanedione",OtherMutliCpd,Compound,CC1CC(=O)C(=O)C1C,WGAVDEVFJDQIMZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
61634,13494-07-0,OtherMutliCpd,Compound,CC1CC(C(=O)C1=O)C,MIDXCONKKJTLDX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
61641,Methyl 3-(methylthio)propionate,OtherMutliCpd,Compound,COC(=O)CCSC,DMMJVMYCBULSIS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Methyl esters,none,none,none,none,none
61656,1-(Methylthio)-2-butanone,OtherMutliCpd,Compound,CCC(=O)CSC,GOAGGJDTOMPTSA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
61657,2-Methyl-5-(methylthio)furan,OtherMutliCpd,Compound,CC1=CC=C(O1)SC,RESBOJMQOGJOMW-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
61658,Furfuryl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OCC1=CC=CO1,FKGUIBCHHSHJNQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61659,Difurfuryl sulfide,OtherMutliCpd,Compound,C1=COC(=C1)CSCC2=CC=CO2,UYLKDZXJEKFFHJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
61660,S-Furfuryl thioacetate,OtherMutliCpd,Compound,CC(=O)SCC1=CC=CO1,LQOUTUIIYXYBQW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
61661,2-(Methoxymethyl)furan,OtherMutliCpd,Compound,COCC1=CC=CO1,GANSPRKOWQQXPE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
61662,13679-61-3,OtherMutliCpd,Compound,CSC(=O)C1=CC=CO1,ISKUAGFDTRLBHG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid and derivatives,none,none,none,none,none,none
61663,13679-70-4,OtherMutliCpd,Compound,CC1=CC=C(S1)C=O,VAUMDUIUEPIGHM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thiophenes,2--5-disubstituted thiophenes,2--5-disubstituted thiophenes,none,none,none,none,none,none
61670,5-Methylquinoxaline,OtherMutliCpd,Compound,CC1=C2C(=CC=C1)N=CC=N2,CQLOYHZZZCWHSG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
61674,Calcium caprate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ca+2],FKYAWWVVKRUUFY-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
61712,4-Ethylsyringol,OtherMutliCpd,Compound,CCC1=CC(=C(C(=C1)OC)O)OC,PJWDIHUFLXQRFF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
61715,3-Isobutylpyridine,OtherMutliCpd,Compound,CC(C)CC1=CN=CC=C1,DEGXTCKEZCCZOP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
61738,2-Hexanoylfuran,OtherMutliCpd,Compound,CCCCCC(=O)C1=CC=CO1,YUAYWSBSIJVIBS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
61743,9-Decenoic acid,OtherMutliCpd,Compound,C=CCCCCCCCC(=O)O,KHAVLLBUVKBTBG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
61746,alpha-Terpinyl anthranilate,OtherMutliCpd,Compound,CC1=CCC(CC1)C(C)(C)OC(=O)C2=CC=CC=C2N,UHUIKPAIJHOKNF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
61771,2-sec-Butylcyclohexanone,OtherMutliCpd,Compound,CCC(C)C1CCCCC1=O,RQXTZKGDMNIWJF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
61812,Butyl 2-methylbutyrate,OtherMutliCpd,Compound,CCCCOC(=O)C(C)CC,OTKQNSSMCDLVQV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61814,"2	4-Dimethylbenzaldehyde",OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C=O)C,GISVICWQYMUPJF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
61817,C.I. Pigment Yellow 104,OtherMutliCpd,Compound,C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Al+3],FFVVMXXUKCHQFS-UHFFFAOYSA-K,none,none,none,none,none,none,none,none,none,none,none
61835,7-Hexyloxepan-2-one,OtherMutliCpd,Compound,CCCCCCC1CCCCC(=O)O1,FRTMRFCNTDDSOB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,none,Lactones,none,none,none,none,none,none
61840,4-Ethyloctanoic acid,OtherMutliCpd,Compound,CCCCC(CC)CCC(=O)O,PWKJMPFEQOHBAC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
61845,3-(Methylthio)butyraldehyde,OtherMutliCpd,Compound,CC(CC=O)SC,NCBDFIPMWRKPDU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
61912,"Phenol condensation products	 with formaldehyde and triethylenetetramine",OtherMutliCpd,Compound,C=O.C1=CC=C(C=C1)O.C(CNCCNCCN)N,NBZZTGGDZKVWPZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
61914,Isopropyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OC(C)C,ZOIRKXLFEHOVER-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61918,2-Acetyl-3-ethylpyrazine,OtherMutliCpd,Compound,CCC1=NC=CN=C1C(=O)C,PPJSYGVFDJEMRP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
61922,4-Methylthio-2-butanone,OtherMutliCpd,Compound,CC(=O)CCSC,DRGHCRKOWMAZAO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
61935,34545-88-5,OtherMutliCpd,Compound,CC1=CC2=CC(=O)CCC2CC1,NGSXTBFUMNXJDK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,Cyclohexenones,none,none,none,none
61936,4-Mercapto-2-butanone,OtherMutliCpd,Compound,CC(=O)CCS,LBFXPJUFQGXMJY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
61954,o-Tolyl isobutyrate,OtherMutliCpd,Compound,CC1=CC=CC=C1OC(=O)C(C)C,FDJBDZVTTXWIQM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
61955,furan-2-ylmethyl pentanoate,OtherMutliCpd,Compound,CCCCC(=O)OCC1=CC=CO1,HRYAVTBTUKVHBU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61980,Ethyl 2-(ethylamino)benzoate,OtherMutliCpd,Compound,CCNC1=CC=CC=C1C(=O)OCC,VKRBJLSSQUIOHL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
61984,Hexyl 2-furoate,OtherMutliCpd,Compound,CCCCCCOC(=O)C1=CC=CO1,KMLFVAGUWNPADU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
61985,Furfuryl octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)OCC1=CC=CO1,JNIWCVWKECYDSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
61986,Isopropyl citrate,OtherMutliCpd,Compound,CC(C)O.CC(=O)CC(CC(=O)O)(C(=O)O)O,XBLJCYOUYPSETL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
61988,2-Acetyl-1-ethylpyrrole,OtherMutliCpd,Compound,CCN1C=CC=C1C(=O)C,HQADRFRTIALOCB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
61989,"2-Butanone	 4	4'-thiobis-",OtherMutliCpd,Compound,CC(=O)CCSCCC(=O)C,CIBUHUTVSRPCRO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
61990,3-Heptyldihydro-5-methyl-2(3H)-furanone,OtherMutliCpd,Compound,CCCCCCCC1CC(OC1=O)C,ZFKUTGNRVJOCIO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
61997,Phenethyl senecioate,OtherMutliCpd,Compound,CC(=CC(=O)OCCC1=CC=CC=C1)C,QTCRFFUEUAXZNW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62000,4-(Methylthio)butanal,OtherMutliCpd,Compound,CSCCCC=O,RZBUXNXJKZHGLL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
62001,Magnesium caprate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Mg+2],WWRYOAYBSQIWNU-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
62003,4-Methylnonanoic acid,OtherMutliCpd,Compound,CCCCCC(C)CCC(=O)O,WQTZCQIRCYSUBQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
62007,2-Phenyl-3-carbethoxyfuran,OtherMutliCpd,Compound,CCOC(=O)C1=C(OC=C1)C2=CC=CC=C2,VMAQXZDICAYJMS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
62017,1-Acetylcyclohexyl acetate,OtherMutliCpd,Compound,CC(=O)C1(CCCCC1)OC(=O)C,GIFAYASOTQVRTG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha-acyloxy carbonyl compounds,Alpha-acyloxy ketones,none,none,none,none,none
62087,3-Mercapto-2-butanol,OtherMutliCpd,Compound,CC(C(C)S)O,MJQWABQELVFQJL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
62089,4-Methyloctanoic acid,OtherMutliCpd,Compound,CCCCC(C)CCC(=O)O,LEGGANXCVQPIAI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
62090,3-((2-Mercapto-1-methylpropyl)thio)-2-butanol,OtherMutliCpd,Compound,CC(C(C)SC(C)C(C)S)O,PHLKBLKTWMSFGF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
62092,p-Tolyl isovalerate,OtherMutliCpd,Compound,CC1=CC=C(C=C1)OC(=O)CC(C)C,MVDPTWHTUYDLTL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
62098,PIPERONYL ACETONE,OtherMutliCpd,Compound,CC(=O)CCC1=CC2=C(C=C1)OCO2,TZJLGGWGVLADDN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
62106,"S-(2	5-Dimethyl-3-furanyl) 2-furancarbothioate",OtherMutliCpd,Compound,CC1=CC(=C(O1)C)SC(=O)C2=CC=CO2,IHJDHYVSIRCWIT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid and derivatives,none,none,none,none,none,none
62110,55840-13-6,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)O)O.C(C(=O)O)C(CC(=O)O)(CC(=O)O)O,HFJHNGKIVAKCIW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
62112,Zinc methionine sulfate,OtherMutliCpd,Compound,CSCCC(C(=O)O)N.[O-]S(=O)(=O)[O-].[Zn+2],ROUREIAZUKQVBD-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Methionine and derivatives,none,none,none,none
62117,56424-87-4,OtherMutliCpd,Compound,CC(C)C1=CCC(CC1)C(=O)O,SVVRHSSIDPLFOP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
62126,Dehydrodihydroionol,OtherMutliCpd,Compound,CC1=C(C(CC=C1)(C)C)CCC(C)O,WPGXAVCJKGSOBD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
62127,beta-Caryophyllene alcohol acetate,OtherMutliCpd,Compound,CC(=O)OC12CCCC(C1)(CCC3C2CC3(C)C)C,SJDDHMSVZMBJPH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
62131,Furfuryl methyl disulfide,OtherMutliCpd,Compound,CSSCC1=CC=CO1,CLSLQQCDHOZMDT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
62143,S-Furfuryl thiopropionate,OtherMutliCpd,Compound,CCC(=O)SCC1=CC=CO1,JNVPDFNCAUOOIT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
62144,2-Furanmethanethiol formate,OtherMutliCpd,Compound,C1=COC(=C1)CSC=O,GFAOAYJTEVHTLA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
62148,3-(Hydroxymethyl)octan-2-one,OtherMutliCpd,Compound,CCCCCC(CO)C(=O)C,XLFYWCDNLLZTIW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
62151,(-)-menthyl lactate,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)O)C(C)C,UJNOLBSYLSYIBM-SGUBAKSOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
62182,61295-50-9,OtherMutliCpd,Compound,CCCCC(=O)C(CCC)SC1=C(OC=C1)C,PEYZZTQOVLTVHN-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
62183,61295-51-0,OtherMutliCpd,Compound,CC1=C(C=CO1)SC(C(C)C)C(=O)CC(C)C,PFFLSEMCPNTWOY-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
62217,naphthalen-2-yl 2-aminobenzoate,OtherMutliCpd,Compound,C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3N,YJFCKXVXEKHSEC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
62237,3-Mercapto-2-pentanone,OtherMutliCpd,Compound,CCC(C(=O)C)S,SZECUQRKLXRGSJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
62240,Coniferan,OtherMutliCpd,Compound,CCC(C)(C)C1CCCCC1OC(=O)C,YEVACTAGDANHRH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
62274,MeIQ,OtherMutliCpd,Compound,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,GMGWMIJIGUYNAY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
62275,MeIQx,OtherMutliCpd,Compound,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,DVCCCQNKIYNAKB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
62326,2-Mercaptopropionic acid,OtherMutliCpd,Compound,CC(C(=O)O)S,PMNLUUOXGOOLSP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,alpha-Mercaptocarboxylic acids,none,none,none,none,none,none
62332,Phenethyl salicylate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O,YNMSDIQQNIRGDP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
62333,Diethyl tartrate,OtherMutliCpd,Compound,CCOC(=O)C(C(C(=O)OCC)O)O,YSAVZVORKRDODB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
62336,2-Phenylpropionaldehyde dimethyl acetal,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)C(OC)OC,UFOUDYPOSJJEDJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
62341,1-Phenylethyl acetate,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)OC(=O)C,QUMXDOLUJCHOAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
62348,Vanillyl alcohol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CO)O,ZENOXNGFMSCLLL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
62349,Menthone lactone,OtherMutliCpd,Compound,CC1CCC(OC(=O)C1)C(C)C,GGAXPLCKKANQED-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,none,Lactones,none,none,none,none,none,none
62362,Eugenyl benzoate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2,ZOGNBLKDKPCKGB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
62375,Benzaldehyde dimethyl acetal,OtherMutliCpd,Compound,COC(C1=CC=CC=C1)OC,HEVMDQBCAHEHDY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
62384,"2	2	4-Trimethyl-1	3-dioxolane",OtherMutliCpd,Compound,CC1COC(O1)(C)C,ALTFLAPROMVXNX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Acetals,Ketals,none,none,none,none,none
62385,1195-32-0,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(=C)C,MMSLOZQEMPDGPI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropenes,Phenylpropenes,none,none,none,none,none,none
62389,6-Benzylaminopurine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3,NWBJYWHLCVSVIJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
62401,AC1L1X1Q,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].C(P(=O)(O)O)P(=O)(O)O.[Na+].[Fe+3].[Fe+3],RBQYQHNTEZSIOM-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Organic phosphonic acids and derivatives,Bisphosphonates,Bisphosphonates,none,none,none,none,none,none
62428,Ethyl 1-naphthaleneacetate,OtherMutliCpd,Compound,CCOC(=O)CC1=CC=CC2=CC=CC=C21,XIDPSKQLXKCVQN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
62433,Pentyl valerate,OtherMutliCpd,Compound,CCCCCOC(=O)CCCC,FGPPDYNPZTUNIU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62445,2-Methylbutyl isovalerate,OtherMutliCpd,Compound,CCC(C)COC(=O)CC(C)C,CYGPPWVXOWCHJB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62453,4-Vinylphenol,OtherMutliCpd,Compound,C=CC1=CC=C(C=C1)O,FUGYGGDSWSUORM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
62465,4-Ethyl-2-methoxyphenol,OtherMutliCpd,Compound,CCC1=CC(=C(C=C1)O)OC,CHWNEIVBYREQRF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
62469,Ethyl 2-benzylbutanoate,OtherMutliCpd,Compound,CCC(CC1=CC=CC=C1)C(=O)OCC,QDCUBAFTOOPBFR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62484,3-HYDROXY-2-PENTANONE,OtherMutliCpd,Compound,CCC(C(=O)C)O,HDKKRASBPHFULQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Acyloins,none,none,none,none,none,none
62490,2-(3-Phenylpropyl)tetrahydrofuran,OtherMutliCpd,Compound,C1CC(OC1)CCCC2=CC=CC=C2,PBXKRPSGIACPQF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
62539,"3	4-HEXANEDIONE",OtherMutliCpd,Compound,CCC(=O)C(=O)CC,KVFQMAZOBTXCAZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
62553,Isopropyl phenylacetate,OtherMutliCpd,Compound,CC(C)OC(=O)CC1=CC=CC=C1,SSMBXPJYHMZLOJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
62555,4948-15-6,OtherMutliCpd,Compound,CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C,FDXVHZCFTCIKDD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,none,Phenanthrenes and derivatives,none,none,none,none,none,none
62572,Ethyl 3-hydroxybutyrate,OtherMutliCpd,Compound,CCOC(=O)CC(C)O,OMSUIQOIVADKIM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
62578,3-Phenylpropyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OCCCC1=CC=CC=C1,LBNFCOMOXOWXCD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62580,Piperonyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OCC1=CC2=C(C=C1)OCO2,RQULTIASPCVEFO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
62583,Epsilon-decalactone,OtherMutliCpd,Compound,CCCCC1CCCCC(=O)O1,YKVIWISPFDZYOW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,none,Lactones,none,none,none,none,none,none
62592,Heptyl butyrate,OtherMutliCpd,Compound,CCCCCCCOC(=O)CCC,JPQHLIYIQARLQM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62602,Aluminum caprylate,OtherMutliCpd,Compound,CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Al+3],VAROLYSFQDGFMV-UHFFFAOYSA-K,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
62610,Calcium saccharin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=O)N=S2(=O)[O-].[Ca+2],LNMAXKMUGYXKPJ-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
62654,7775-00-0,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)CCC=O,RLEFOSDUWZYGOS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
62661,4-Methyl-1-phenyl-2-pentanol,OtherMutliCpd,Compound,CC(C)CC(CC1=CC=CC=C1)O,IUADYGVMSDKSMB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
62697,Styrene-butadiene copolymer,OtherMutliCpd,Compound,C=CC=C.C=CC1=CC=CC=C1,MTAZNLWOLGHBHU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
62726,Tribehenin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,DMBUODUULYCPAK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
62752,21835-01-8,OtherMutliCpd,Compound,CCC1=C(C(=O)CC1)O,JHWFWLUAUPZUCP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
62805,"2-Amino-9H-pyrido[2	3-b]indole",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,FJTNLJLPLJDTRM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Alpha carbolines,none,none,none,none,none,none
62815,Anhydrosorbitol tristearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,IJCWFDPJFXGQBN-BIFNRIDTSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
62819,Urofollitropin,Drug,Compound,CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O,ZDRRIRUAESZNIH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
62820,Calcium beta-glycerophosphate,OtherMutliCpd,Compound,C(C(CO)OP(=O)([O-])[O-])O.[Ca+2],UHHRFSOMMCWGSO-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
62856,SOLERONE,OtherMutliCpd,Compound,CC(=O)C1CCC(=O)O1,AHLDCEZSQNGEFT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha-acyloxy carbonyl compounds,Alpha-acyloxy ketones,none,none,none,none,none
62876,64577-91-9,OtherMutliCpd,Compound,CCCCOC(C)OCCC1=CC=CC=C1,JBEADRDKGADTFN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
62894,Halofuginone,OtherMutliCpd,Compound,C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O,LVASCWIMLIKXLA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
62897,Isopropenylpyrazine,OtherMutliCpd,Compound,CC(=C)C1=NC=CN=C1,JMKUTMOIKCXELD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
62900,Whiskey lactone,OtherMutliCpd,Compound,CCCCC1C(CC(=O)O1)C,WNVCMFHPRIBNCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
62901,Octyl 2-furoate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)C1=CC=CO1,WVTHGLPXSATJHZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
62902,Ethyl 2-methylpentanoate,OtherMutliCpd,Compound,CCCC(C)C(=O)OCC,HZPKNSYIDSNZKW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62908,Methyl 2-hydroxy-4-methylpentanoate,OtherMutliCpd,Compound,CC(C)CC(C(=O)OC)O,JOSNYUDSMPILKL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
62911,2-Methyl-4-phenylbutanal,OtherMutliCpd,Compound,CC(CCC1=CC=CC=C1)C=O,RLFLIPVJQTWXKR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
62959,Trovafloxacin,Drug,Compound,C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F,WVPSKSLAZQPAKQ-SOSAQKQKSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Naphthyridines,Naphthyridine carboxylic acids and derivatives,none,none,none,none,none,none
63121,Glycosminine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC2=NC(=O)C3=CC=CC=C3N2,ZDUVLDCZFKNYHH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
63123,Arborine,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3,XVPZRKIQCKKYNE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
64139,efavirenz,Drug,Compound,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,XPOQHMRABVBWPR-ZDUSSCGKSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,none,Benzoxazines,none,none,none,none,none,none
64142,Nelfinavir mesylate,Drug,Compound,CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O,NQHXCOAXSHGTIA-SKXNDZRYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
64147,Valganciclovir,Drug,Compound,CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N,WPVFJKSGQUFQAP-GKAPJAKFSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
64689,beta-D-glucose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,WQZGKKKJIJFFOK-VFUOTHLCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
64802,"1	3-diphenylpropan-1-one",OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2,QGGZBXOADPVUPN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retro-dihydrochalcones,none,none,none,none,none,none
64860,25173-72-2,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)CCC(=O)O,ZCYXGVJUZBKJAI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
64945,Ursolic acid,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,WCGUUGGRBIKTOS-GPOJBZKASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
64950,N-Methylnicotinamide,OtherMutliCpd,Compound,CNC(=O)C1=CN=CC=C1,ZYVXHFWBYUDDBM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxamides,Nicotinamides,none,none,none,none,none
64956,dl-3-Aminoisobutyric acid,OtherMutliCpd,Compound,CC(CN)C(=O)O,QCHPKSFMDHPSNR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
64959,xanthosine,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,UBORTCNDUKBEOP-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
64960,"1	5-Anhydro-D-glucitol",OtherMutliCpd,Compound,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,MPCAJMNYNOGXPB-SLPGGIOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
64961,"9H-Pyrido[3	4-B]indole",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,AIFRHYZBTHREPW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
64968,dTTP,OtherMutliCpd,Compound,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,NHVNXKFIZYSCEB-XLPZGREQSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine deoxyribonucleotides,Pyrimidine deoxyribonucleoside triphosphates,Pyrimidine 2'-deoxyribonucleoside triphosphates,none,none,none,none,none
64969,3-Methyl-L-histidine,OtherMutliCpd,Compound,CN1C=NC=C1C[C@@H](C(=O)O)N,JDHILDINMRGULE-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
64981,Arctigenin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)OC,NQWVSMVXKMHKTF-JKSUJKDBSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
64982,Baicalin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O,IKIIZLYTISPENI-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
65016,amprenavir,Drug,Compound,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N,YMARZQAQMVYCKC-OEMFJLHTSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Aminobenzenesulfonamides,none,none,none,none,none,none
65037,Tuberculostearic acid,OtherMutliCpd,Compound,CCCCCCCCC(C)CCCCCCCCC(=O)O,BEOUGZFCUMNGOU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
65058,2'-Deoxyinosine,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)CO)O,VGONTNSXDCQUGY-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,Purine 2'-deoxyribonucleosides,Purine 2'-deoxyribonucleosides,none,none,none,none,none,none
65059,Deoxyguanylic acid,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O,LTFMZDNNPPEQNG-KVQBGUIXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside monophosphates,Purine 2'-deoxyribonucleoside monophosphates,none,none,none,none,none
65064,(-)-Epigallocatechin gallate,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,WMBWREPUVVBILR-WIYYLYMNSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
65065,N-Acetyl-L-aspartic acid,OtherMutliCpd,Compound,CC(=O)N[C@@H](CC(=O)O)C(=O)O,OTCCIMWXFLJLIA-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
65072,L-Homocitrulline,OtherMutliCpd,Compound,C(CCNC(=O)N)C[C@@H](C(=O)O)N,XIGSAGMEBXLVJJ-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
65076,Cholesterol sulfate,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,BHYOQNUELFTYRT-DPAQBDIFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
65084,Gallocatechin,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,XMOCLSLCDHWDHP-SWLSCSKDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
65090,Xanthotoxol,OtherMutliCpd,Compound,C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O,JWVYQQGERKEAHW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,8-hydroxypsoralens,none,none,none,none
65095,1-Methylinosine,OtherMutliCpd,Compound,CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,WJNGQIYEQLPJMN-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
65098,L-norvaline,OtherMutliCpd,Compound,CCC[C@@H](C(=O)O)N,SNDPXSYFESPGGJ-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
65103,dGTP,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,HAAZLUGHYHWQIW-KVQBGUIXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside triphosphates,Purine 2'-deoxyribonucleoside triphosphates,none,none,none,none,none
65104,Phenylalanylphenylalanine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N,GKZIWHRNKRBEOH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
65110,AICA ribonucleotide,OtherMutliCpd,Compound,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,NOTGFIUVDGNKRI-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole ribonucleosides and ribonucleotides,1-ribosyl-imidazolecarboxamides,1-ribosyl-imidazolecarboxamides,none,none,none,none,none,none
65113,Myristoyl-coenzyme A,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,DUAFKXOFBZQTQE-XVDJLSDJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
65124,3-Nitro-L-tyrosine,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,FBTSQILOGYXGMD-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
65154,8-Hydroxyguanine,OtherMutliCpd,Compound,C12=C(NC(=NC1=O)N)NC(=O)N2,CLGFIVUFZRGQRP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purines and purine derivatives,none,none,none,none,none,none
65188,Xanthyletin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C,QOTBQNVNUBKJMS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
65191,Sulforhodamine B,OtherMutliCpd,Compound,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-],IOOMXAQUNPWDLL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
65249,N-Acetyl-L-serine,OtherMutliCpd,Compound,CC(=O)N[C@@H](CO)C(=O)O,JJIHLJJYMXLCOY-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
65259,6-chloro-dl-tryptophan,OtherMutliCpd,Compound,C1=CC2=C(C=C1Cl)NC=C2CC(C(=O)O)N,FICLVQOYKYBXFN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
65373,Secoisolariciresinol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO)O,PUETUDUXMCLALY-HOTGVXAUSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,Dibenzylbutanediol lignans,Dibenzylbutanediol lignans,none,none,none,none,none,none
65396,Hypusine,OtherMutliCpd,Compound,C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N,BZUIJMCJNWUGKQ-IUCAKERBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
65425,Methyl 4-(methylthio)butyrate,OtherMutliCpd,Compound,COC(=O)CCCSC,HQDLZISNHUMXEA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
65428,6-Hydroxydihydrotheaspirane,OtherMutliCpd,Compound,CC1CCC2(O1)C(CCCC2(C)O)(C)C,LJOISVFAMDWVFA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
65492,iopamidol,Drug,Compound,C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O,XQZXYNRDCRIARQ-LURJTMIESA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Iodobenzenes,none,none,none,none,none,none
65512,5-Acetamidosalicylic acid,Drug,Compound,CC(=O)NC1=CC(=C(C=C1)O)C(=O)O,GEFDRROBUCULOD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
65517,53-00-9,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O,OLPSAOWBSPXZEA-JIEICEMKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
65542,7alpha-Hydroxyandrostenedione,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](CC4=CC(=O)CC[C@]34C)O,LFWLQMQUJQUZBD-TYHLISGHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
65543,6beta-Hydroxytestosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O,XSEGWEUVSZRCBC-ZVBLRVHNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
65554,5-Dihydrocortisone,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,YCLWEYIBFOLMEM-FNLRALKVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
65555,Tetrahydrocortexolone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,UPTAPIKFKZGAGM-FAIYVORSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
65576,Tomatidine,OtherMutliCpd,Compound,C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1,XYNPYHXGMWJBLV-VXPJTDKGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Spirosolanes and derivatives,none,none,none,none,none,none
65609,"(2R	3S	4S	5R	6R)-2-(HYDROXYMETHYL)-6-[(1'S	2R	2'S	4'S	5R	7'S	8'R	9'S	12'S	13'R)-5	7'	9'	13'-TETRAMETHYL-5'-OXASPIRO[OXANE-2	6'-PENTACYCLO[10.8.0.0(2)	?.0?	?.0(1)(3)	(1)?]ICOSAN]-18'-ENEOXY]OXANE-3	4	5-TRIOL",OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1,WXMARHKAXWRNDM-VVWJQRNDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
65628,Bendamustine,Drug,Compound,CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O,YTKUWDBFDASYHO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
65727,Solanidine,OtherMutliCpd,Compound,C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C,JVKYZPBMZPJNAJ-OQFNDJACSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Solanidines and derivatives,none,none,none,none,none,none
65728,Lathosterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,IZVFFXVYBHFIHY-SKCNUYALSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
65981,Repaglinide,Drug,Compound,CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O,FAEKWTJYAYMJKF-QHCPKHFHSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,Phenylpiperidines,Phenylpiperidines,none,none,none,none,none,none
65999,Telmisartan,Drug,Compound,CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C,RMMXLENWKUUMAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
66021,25395-31-7,OtherMutliCpd,Compound,CC(=O)OCC(CO)OC(=O)C,UXDDRFCJKNROTO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
66066,epi-Cholestanol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C,QYIXCDOBOSTCEI-FBVYSKEZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
66093,Valerophenone,OtherMutliCpd,Compound,CCCCC(=O)C1=CC=CC=C1,XKGLSKVNOSHTAD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
66308,D-(-)-Arabinose,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H](C=O)O)O)O)O,PYMYPHUHKUWMLA-WDCZJNDASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
66329,3-Methyl-3-buten-2-ol,OtherMutliCpd,Compound,CC(C(=C)C)O,JEYLKNVLTAPJAF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
66336,3-(3-Methoxyphenyl)propionic acid,OtherMutliCpd,Compound,COC1=CC=CC(=C1)CCC(=O)O,BJJQJLOZWBZEGA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
66414,2-Methoxyestradiol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O,CQOQDQWUFQDJMK-SSTWWWIQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
66417,16-Ketoestradiol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)O,KJDGFQJCHFJTRH-YONAWACDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
66424,17beta-Estradiol glucuronide,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O,MTKNDAQYHASLID-RNFKDHMMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
66430,"Estradiol 3	17-disulfate",OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O,VPLAJGAMHNQZIY-ZBRFXRBCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
66490,Vulcan Violet BN,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=CC=C5C(=O)O,VBKQODJWSGDGNQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
66520,"2	4	6-Trihydroxybenzoic acid",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)C(=O)O)O)O,IBHWREHFNDMRPR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
66542,4-Methoxy-1-naphthol,OtherMutliCpd,Compound,COC1=CC=C(C2=CC=CC=C21)O,BOTGCZBEERTTDQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
66548,Xanthoxyletin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C,JSJIIHRNDMLJGK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
66595,7-Ethoxy-4-methylcoumarin,OtherMutliCpd,Compound,CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C,NKRISXMDKXBVRJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
66597,4-tert-Butylphenyl salicylate,OtherMutliCpd,Compound,CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O,DBOSBRHMHBENLP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
66651,17-alpha-estradiol-3-glucuronide,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,MUOHJTRCBBDUOW-RNFKDHMMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
66654,Xanthoxylin,OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1OC)OC)O,FBUBVLUPUDBFME-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
66751,Octyl benzoate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)C1=CC=CC=C1,VECVSKFWRQYTAL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
66826,Nitarsone,OtherMutliCpd,Compound,C1=CC(=CC=C1[N+](=O)[O-])[As](=O)(O)O,FUUFQLXAIUOWML-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrobenzenes,none,none,none,none,none,none
67000,"1-(Hydroxymethyl)-5	5-dimethylhydantoin",OtherMutliCpd,Compound,CC1(C(=O)NC(=O)N1CO)C,SIQZJFKTROUNPI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,none,none,none,none
67022,117-46-4,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O,RKKZDGOUSIOSIY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthalene sulfonic acids and derivatives,Naphthalene sulfonates,2-naphthalene sulfonates,none,none,none,none,none
67069,N-Methylanthranilic acid,OtherMutliCpd,Compound,CNC1=CC=CC=C1C(=O)O,WVMBPWMAQDVZCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
67116,4-Ethoxy-3-methoxybenzaldehyde,OtherMutliCpd,Compound,CCOC1=C(C=C(C=C1)C=O)OC,BERFDQAMXIBOHM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
67174,Diphenolic acid,OtherMutliCpd,Compound,CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,VKOUCJUTMGHNOR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Bisphenols,none,none,none,none,none,none
67249,Pelargonidin chloride,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O.[Cl-],YPVZJXMTXCOTJN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
67328,Propyl pentanoate,OtherMutliCpd,Compound,CCCCC(=O)OCCC,ROJKPKOYARNFNB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
67427,N-Acetyl-L-arginine,OtherMutliCpd,Compound,CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O,SNEIUMQYRCDYCH-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
67600,2-Oxooctanoic acid,OtherMutliCpd,Compound,CCCCCCC(=O)C(=O)O,GPPUPQFYDYLTIY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
67678,L-cystine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N,LEVWYRKDKASIDU-IMJSIDKUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,L-cysteine-S-conjugates,none,none,none
67701,3-Guanidinopropionic acid,OtherMutliCpd,Compound,C(CN=C(N)N)C(=O)O,KMXXSJLYVJEBHI-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Guanidines,Guanidines,none,none,none,none,none,none
67955,N6-Methyladenine,OtherMutliCpd,Compound,CNC1=NC=NC2=C1NC=N2,CKOMXBHMKXXTNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
67973,Deuteroporphyrin,OtherMutliCpd,Compound,CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C,VAJVGAQAYOAJQI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
68057,"1	1	6-Trimethyltetralin",OtherMutliCpd,Compound,CC1=CC2=C(C=C1)C(CCC2)(C)C,LTMQZVLXCLQPCT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
68073,480-66-0,OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1O)O)O,XLEYFDVVXLMULC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
68077,Tangeretin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC,ULSUXBXHSYSGDT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
68079,Isopimpinellin,OtherMutliCpd,Compound,COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC,DFMAXQKDIGCMTL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,8-methoxypsoralens,none,none,none,none
68081,Isoimperatorin,OtherMutliCpd,Compound,CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C,IGWDEVSBEKYORK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
68082,Isobergapten,OtherMutliCpd,Compound,COC1=C2C=CC(=O)OC2=C3C=COC3=C1,AJSPSRWWZBBIOR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
68126,"3	4-Dimethoxytoluene",OtherMutliCpd,Compound,CC1=CC(=C(C=C1)OC)OC,GYPMBQZAVBFUIZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
68138,4-Hydroxy-3-methylbenzoic acid,OtherMutliCpd,Compound,CC1=C(C=CC(=C1)C(=O)O)O,LTFHNKUKQYVHDX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
68144,Phenylacetylglycine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)NCC(=O)O,UTYVDVLMYQPLQB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
68146,3-Pentadecylphenol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC1=CC(=CC=C1)O,PTFIPECGHSYQNR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
68148,Chavicol,OtherMutliCpd,Compound,C=CCC1=CC=C(C=C1)O,RGIBXDHONMXTLI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
68149,"1	3-Dipalmitin",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O,GFAZGHREJPXDMH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--3-diacylglycerols,none,none,none,none,none
68152,3-Hydroxypropionic acid,OtherMutliCpd,Compound,C(CO)C(=O)O,ALRHLSYJTWAHJZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
68171,1-Hexacosanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCO,IRHTZOCLLONTOC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
68184,Rotenolone,OtherMutliCpd,Compound,CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC,JFVKWCYZKMUTLH-AYPBNUJASA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
68209,"3	4-Dimethoxyphthalic acid",OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)C(=O)O)C(=O)O)OC,QSWJYWSRUJSAFH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
68213,Maclurin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O,XNWPXDGRBWJIES-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
68229,Seselin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C,QUVCQYQEIOLHFZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Angular pyranocoumarins,none,none,none,none,none,none
68245,Delphinidin chloride,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-],FFNDMZIBVDSQFI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
68247,Cyanidin chloride,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O)O.[Cl-],COAWNPJQKJEHPG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
68252,Thymol acetate,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(C)C)OC(=O)C,WFMIUXMJJBBOGJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
68271,Coproporphyrin I,OtherMutliCpd,Compound,CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O,VCCUOZSDXVZCSK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
68289,Sesamol,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)O,LUSZGTFNYDARNI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
68310,N-Acetyl-L-tyrosine,OtherMutliCpd,Compound,CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O,CAHKINHBCWCHCF-JTQLQIEISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
68313,Hordenine,OtherMutliCpd,Compound,CN(C)CCC1=CC=C(C=C1)O,KUBCEEMXQZUPDQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Phenethylamines,none,none,none,none,none,none
68345,1-Hentriacontanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,ROOBHHSRWJOKSH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
68368,Nebularine,OtherMutliCpd,Compound,C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,MRWXACSTFXYYMV-FDDDBJFASA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
68374,7-Methylxanthine,OtherMutliCpd,Compound,CN1C=NC2=C1C(=O)NC(=O)N2,PFWLFWPASULGAN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
68377,Falimint,OtherMutliCpd,Compound,CCCOC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C,OPTZOXDYEFIPJZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrophenyl ethers,none,none,none,none,none,none
68381,Perilla ketone,OtherMutliCpd,Compound,CC(C)CCC(=O)C1=COC=C1,LVHLZMUFIYAEQB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
68406,1-Octacosanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,CNNRPFQICPFDPO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
68437,Meconin,OtherMutliCpd,Compound,COC1=C(C2=C(COC2=O)C=C1)OC,ORFFGRQMMWVHIB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Phthalides,none,none,none,none,none,none
68443,3-Aminosalicylic acid,OtherMutliCpd,Compound,C1=CC(=C(C(=C1)N)O)C(=O)O,IQGMRVWUTCYCST-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Aminosalicylic acids and derivatives,Aminosalicylic acids,none,none,none
68481,2'-Methoxyacetophenone,OtherMutliCpd,Compound,CC(=O)C1=CC=CC=C1OC,DWPLEOPKBWNPQV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
68482,2-(Benzoylamino)benzoic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O,WXVLIIDDWFGYCV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
68486,Suberosin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C,RSZDAYHEZSRVHS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
68499,Nicotinuric acid,OtherMutliCpd,Compound,C1=CC(=CN=C1)C(=O)NCC(=O)O,ZBSGKPYXQINNGF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
68570,17alpha-Estradiol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O,VOXZDWNPVJITMN-SFFUCWETSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
68759,Glutaurine,OtherMutliCpd,Compound,C(CC(=O)NCCS(=O)(=O)O)[C@@H](C(=O)O)N,WGXUDTHMEITUBO-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
68841,O-phospho-L-serine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)OP(=O)(O)O,BZQFBWGGLXLEPQ-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
68929,16-Epiestriol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,PROQIPRRNZUXQM-ZMSHIADSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
69160,7-Methyluric acid,OtherMutliCpd,Compound,CN1C2=C(NC(=O)NC2=O)NC1=O,YHNNPKUFPWLTOP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
69188,Ethyl nicotinate,OtherMutliCpd,Compound,CCOC(=O)C1=CN=CC=C1,XBLVHTDFJBKJLG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
69217,1-Methylhydantoin,OtherMutliCpd,Compound,CN1CC(=O)NC1=O,RHYBFKMFHLPQPH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolines,Imidazolines,Imidazolines,none,none,none,none,none,none
69276,p-Nitrobenzal bromide,OtherMutliCpd,Compound,C1=CC(=CC=C1C(Br)Br)[N+](=O)[O-],MKHFRSNFHCJQIQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Nitrobenzenes,Nitrobenzenes,none,none,none,none,none,none
69301,"1	3	5-Trimethoxybenzene",OtherMutliCpd,Compound,COC1=CC(=CC(=C1)OC)OC,LKUDPHPHKOZXCD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
69310,Tricaprin,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,LADGBHLMCUINGV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
69320,2-Propylpyridine,OtherMutliCpd,Compound,CCCC1=CC=CC=N1,OIALIKXMLIAOSN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
69350,Heptyl heptanoate,OtherMutliCpd,Compound,CCCCCCCOC(=O)CCCCCC,QOIIBPAJVWFEPE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
69354,Methyl levulinate,OtherMutliCpd,Compound,CC(=O)CCC(=O)OC,UAGJVSRUFNSIHR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
69362,beta-Hydroxyisovaleric acid,OtherMutliCpd,Compound,CC(C)(CC(=O)O)O,AXFYFNCPONWUHW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
69382,L-Homocystine,OtherMutliCpd,Compound,C(CSSCCC(C(=O)O)N)[C@@H](C(=O)O)N,ZTVZLYBCZNMWCF-ZBHICJROSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
69389,3-Buten-1-ol,OtherMutliCpd,Compound,C=CCCO,ZSPTYLOMNJNZNG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
69467,2-Thiophenemethanol,OtherMutliCpd,Compound,C1=CSC(=C1)CO,ZPHGMBGIFODUMF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
69475,Phenylpropiolic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C#CC(=O)O,XNERWVPQCYSMLC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
69502,Alloimperatorin,OtherMutliCpd,Compound,CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C,KDXVVZMYSLWJMA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,8-hydroxypsoralens,none,none,none,none
69507,Fructose 6-Phosphate,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,GSXOAOHZAIYLCY-HSUXUTPPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
69512,Malvidin chloride,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-],KQIKOUUKQBTQBE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
69522,2-Aminooctanoic acid,OtherMutliCpd,Compound,CCCCCCC(C(=O)O)N,AKVBCGQVQXPRLD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
69560,"2	6-Dimethylhydroquinone",OtherMutliCpd,Compound,CC1=CC(=CC(=C1O)C)O,SGWZVZZVXOJRAQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Hydroquinones,none,none,none,none,none,none
69568,L-Lysine hydrochloride,OtherMutliCpd,Compound,C(CCN)C[C@@H](C(=O)O)N.Cl,BVHLGVCQOALMSV-JEDNCBNOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
69600,2-Hydroxy-4-methoxybenzaldehyde,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C=O)O,WZUODJNEIXSNEU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
69687,"2'	6'-Dihydroxyacetophenone",OtherMutliCpd,Compound,CC(=O)C1=C(C=CC=C1O)O,YPTJKHVBDCRKNF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
69726,1-Methyluric acid,OtherMutliCpd,Compound,CN1C(=O)C2=C(NC(=O)N2)NC1=O,QFDRTQONISXGJA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
69751,N-Methylacridone,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31,XUVKSPPGPPFPQN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
69867,Indole-3-carboxylic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C(=O)O,KMAKOBLIOCQGJP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids and derivatives,none,none,none,none,none,none
69894,Isoscopoletin,OtherMutliCpd,Compound,COC1=C(C=C2C=CC(=O)OC2=C1)O,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
70095,Octadecanedioic acid,OtherMutliCpd,Compound,C(CCCCCCCCC(=O)O)CCCCCCCC(=O)O,BNJOQKFENDDGSC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
70122,"1	3-Dimethyluracil",OtherMutliCpd,Compound,CN1C=CC(=O)N(C1=O)C,JSDBKAHWADVXFU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,none,none,none,none,none,none
70140,3-Methoxysalicylic acid,OtherMutliCpd,Compound,COC1=CC=CC(=C1O)C(=O)O,AUZQQIPZESHNMG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,M-methoxybenzoic acids and derivatives,none,none,none,none,none
70260,"1	2	5-Trimethylpyrrole",OtherMutliCpd,Compound,CC1=CC=C(N1C)C,YRABRACUKBOTKB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,N-substituted pyrroles,N-methylpyrroles,none,none,none,none,none
70278,"3-ethylbenzene-1	2-diol",OtherMutliCpd,Compound,CCC1=C(C(=CC=C1)O)O,UUCQGNWZASKXNN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
70335,19735-89-8,OtherMutliCpd,Compound,CC1=CC(=O)N(N1)C2=CC=CC=C2,KZQYIMCESJLPQH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
70346,"1	3-Dimethyluric acid",OtherMutliCpd,Compound,CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2,OTSBKHHWSQYEHK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
70615,Ethyl hydrogen malonate,OtherMutliCpd,Compound,CCOC(=O)CC(=O)O,HGINADPHJQTSKN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
70627,5-Hydroxymaltol,OtherMutliCpd,Compound,CC1=C(C(=O)C(=CO1)O)O,SSSNQLHKSUJJTE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrans,Pyranones and derivatives,Pyranones and derivatives,none,none,none,none,none,none
70639,3-Methylxanthine,OtherMutliCpd,Compound,CN1C2=C(C(=O)NC1=O)NC=N2,GMSNIKWWOQHZGF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
70761,4-Ethylcatechol,OtherMutliCpd,Compound,CCC1=CC(=C(C=C1)O)O,HFLGBNBLMBSXEM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
70872,"2	2-Bis-(4-cyanatophenyl)propane",OtherMutliCpd,Compound,CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N,AHZMUXQJTGRNHT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
70912,N-Acetyl-L-leucine,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)O)NC(=O)C,WXNXCEHXYPACJF-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Leucine and derivatives,none,none,none,none
70949,"2	5-Dihydroxybenzaldehyde",OtherMutliCpd,Compound,C1=CC(=C(C=C1O)C=O)O,CLFRCXCBWIQVRN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,Benzaldehydes,Hydroxybenzaldehydes,none,none,none
70962,(+)-Isomenthone,OtherMutliCpd,Compound,C[C@@H]1CC[C@@H](C(=O)C1)C(C)C,NFLGAXVYCFJBMK-RKDXNWHRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
70966,Vanillylamine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CN)O,WRPWWVNUCXQDQV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
70968,"1-(5-Methyl-2-furyl)propane-1	2-dione",OtherMutliCpd,Compound,CC1=CC=C(O1)C(=O)C(=O)C,CSILYJHAPLAXTQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,none,none,none,none,none
70972,"2	2-Methylenebisfuran",OtherMutliCpd,Compound,C1=COC(=C1)CC2=CC=CO2,YHGNXEIQSHICNK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
71034,2-Methoxy-9H-xanthen-9-one,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O,DVZCOQQFPCMIPO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
71070,D-Arginine,OtherMutliCpd,Compound,C(C[C@H](C(=O)O)N)CN=C(N)N,ODKSFYDXXFIFQN-SCSAIBSYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,D-alpha-amino acids,none,none,none
71077,D-serine,OtherMutliCpd,Compound,C([C@H](C(=O)O)N)O,MTCFGRXMJLQNBG-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Serine and derivatives,none,none,none,none
71080,D-alanine,OtherMutliCpd,Compound,C[C@H](C(=O)O)N,QNAYBMKLOCPYGJ-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
71082,D-ornithine,OtherMutliCpd,Compound,C(C[C@H](C(=O)O)N)CN,AHLPHDHHMVZTML-SCSAIBSYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,D-alpha-amino acids,none,none,none
71102,Menadiol sodium sulfate,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+],VIXBZWJMHHVLBT-UHFFFAOYSA-L,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
71103,MENADIOL DISULFATE,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)OS(=O)(=O)O)OS(=O)(=O)O,JYJGXBHAXCGVHV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
71158,Acamprosate,Drug,Compound,CC(=O)NCCCS(=O)(=O)O,AFCGFAGUEYAMAO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfonic acids and derivatives,Organosulfonic acids and derivatives,Organosulfonic acids,none,none,none,none,none,none
71188,Enrofloxacin,OtherMutliCpd,Compound,CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F,SPFYMRJSYKOXGV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
71214,Fosfocreatinine,OtherMutliCpd,Compound,CN1CC(=O)N=C1NP(=O)(O)O,HIPLEPXPNLWKCQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
71225,Emopamil,OtherMutliCpd,Compound,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2,DWAWDSVKAUWFHC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
71301,Nebivolol,Drug,Compound,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,KOHIRBRYDXPAMZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
71329,Dofetilide,Drug,Compound,CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C,IXTMWRCNAAVVAI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Sulfanilides,Sulfanilides,none,none,none,none,none,none
71348,Somatuline (TN),Drug,Compound,CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O,DEXPIBGCLCPUHE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
71384,Dexrazoxane,Drug,Compound,C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,BMKDZUISNHGIBY-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
71406,Tocophersolan,OtherMutliCpd,Compound,CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)OCCO)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,AOBORMOPSGHCAX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,none,none,none,none,none,none
71415,diflorasone,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F,WXURHACBFYSXBI-XHIJKXOTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
71544,Phenylacetaldehyde diisobutyl acetal,OtherMutliCpd,Compound,CC(C)COC(CC1=CC=CC=C1)OCC(C)C,IORFKGJOBOCHPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
71552,Heptadecanal,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC=O,PIYDVAYKYBWPPY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
71593,7-Methyladenine,OtherMutliCpd,Compound,CN1C=NC2=C1C(=NC=N2)N,HCGHYQLFMPXSDU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
71616,Voriconazole,Drug,Compound,C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O,BCEHBSKCWLPMDN-MGPLVRAMSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
71628,Sitosteryl glycoside,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C,NPJICTMALKLTFW-QYDWNGEASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
71651,Betamipron,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NCCC(=O)O,CWXYHOHYCJXYFQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
71771,Aceclofenac,Drug,Compound,C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl,MNIPYSSQXLZQLJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
71802,Largon,OtherMutliCpd,Compound,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C.Cl,UGVNGSMLNPWNNA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazines,Phenothiazines,Phenothiazines,none,none,none,none,none,none
71920,Choline glycerophosphate,OtherMutliCpd,Compound,C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O,SUHOQUVVVLNYQR-QMMMGPOBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Glycerophosphocholines,none,none,none,none,none,none
72041,Acemannanan,OtherMutliCpd,Compound,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC(=O)C)O)O[C@@H]3[C@H](O[C@@H]([C@H]([C@H]3OC(=O)C)O)O[C@@H]4[C@H](O[C@@H]([C@H]([C@H]4OC(=O)C)O)OC)CO)CO)CO)CO)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)OC)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)O,XOYXESIZZFUVRD-UVSAJTFZSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
72061,Oxymesterone,OtherMutliCpd,Compound,C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O,RXXBBHGCAXVBES-XMUHMHRVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
72259,Fagomine,OtherMutliCpd,Compound,C1CN[C@@H]([C@H]([C@@H]1O)O)CO,YZNNBIPIQWYLDM-HSUXUTPPSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
72276,(-)-Epicatechin,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,PFTAWBLQPZVEMU-UKRRQHHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
72277,(-)-Epigallocatechin,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,XMOCLSLCDHWDHP-IUODEOHRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
72281,hesperetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,AIONOLUJZLIMTK-AWEZNQCLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
72344,Nobiletin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC,MRIAQLRQZPPODS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
72348,N-Myristoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)NCC(=O)O,DYUGTPXLDJQBRB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
72422,Mesoporphyrin IX,OtherMutliCpd,Compound,CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C,NCAJWYASAWUEBY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
72423,uroporphyrin III,OtherMutliCpd,Compound,C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)N2)CC(=O)O)CCC(=O)O,PMCXJBQHQIFCOG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
72424,Uroporphyrin I,OtherMutliCpd,Compound,C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)N2)CCC(=O)O)CC(=O)O,MOTVYDVWODTRDF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
72466,Bleomycin sulfate,Drug,Compound,CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-],WUIABRMSWOKTOF-OCBSMOPSSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid glycopeptides,none,none,none,none,none,none
72486,Eupolauridine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=NC=CC4=C3C2=NC=C4,KIVUUVOREYMMFE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Naphthyridines,Naphthyridines,none,none,none,none,none,none
72537,Rubrofusarin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)O)OC,FPNKCZKRICBAKG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
72626,Cinnabarin,OtherMutliCpd,Compound,C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)O)N)CO,BHUPIKYIGMWGAD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Phenoxazines,Phenoxazines,none,none,none,none,none,none
72660,Nicotinamide methiodide,OtherMutliCpd,Compound,C[N+]1=CC=CC(=C1)C(=O)N.[I-],IWEIZMCTGMHCRE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxamides,Nicotinamides,none,none,none,none,none
72661,Nicotinamide N-oxide,OtherMutliCpd,Compound,C1=CC(=C[N+](=C1)[O-])C(=O)N,USSFUVKEHXDAPM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxamides,Nicotinamides,none,none,none,none,none
72704,Berberrubine,OtherMutliCpd,Compound,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O,GLYPKDKODVRYGP-UHFFFAOYSA-O,Organic compounds,Alkaloids and derivatives,Protoberberine alkaloids and derivatives,none,Protoberberine alkaloids and derivatives,none,none,none,none,none,none
72725,Questiomycin A,OtherMutliCpd,Compound,C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N,RDJXPXHQENRCNG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Phenoxazines,Phenoxazines,none,none,none,none,none,none
72899,Indole-2-carboxylic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=C(N2)C(=O)O,HCUARRIEZVDMPT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids and derivatives,none,none,none,none,none,none
73057,Schisanhenol,OtherMutliCpd,Compound,C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC,FYSHYFPJBONYCQ-QWHCGFSZSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
73111,Sennoside A,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,IPQVTOJGNYVQEO-KGFNBKMBSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
73129,Transsylvanoside A,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O,MQDPNHFRYVCDQE-WJBLRBLFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73145,beta-Amyrin,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C,JFSHUTJDVKUMTJ-QHPUVITPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73160,(-)-Catechin,OtherMutliCpd,Compound,C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,PFTAWBLQPZVEMU-HIFRSBDPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
73170,alpha-Amyrin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C,FSLPMRQHCOLESF-SFMCKYFRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73177,Ganodermanontriol,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C(C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,KASALCUNLBTNAA-VIKWRQSJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73191,Nodakenin,OtherMutliCpd,Compound,CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,HXCGUCZXPFBNRD-DNLMCPORSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
73193,Tormentic acid,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O,OXVUXGFZHDKYLS-BLIWDXROSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73207,Xanthomicrol,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1OC)OC)OC(=CC2=O)C3=CC=C(C=C3)O)O,SAMBWAJRKKEEOR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
73268,Isobarbituric acid,OtherMutliCpd,Compound,C1=C(C(=O)NC(=O)N1)O,OFJNVANOCZHTMW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Hydroxypyrimidines,none,none,none,none,none,none
73309,Echinocystic acid,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O,YKOPWPOFWMYZJZ-PRIAQAIDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73323,5'-Xanthylic acid,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,DCTLYFZHFGENCW-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
73330,Strictinin,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O,FYIJLTSMNXUNLT-CXQFPWCTSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
73374,Pteroylpentaglutamic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,IVSPPVMFGMVDLI-LSBAASHUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
73386,Petunidin chloride,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-],QULMBDNPZCFSPR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
73398,18alpha-Glycyrrhetinic acid,OtherMutliCpd,Compound,C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,MPDGHEJMBKOTSU-PMTKVOBESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
73399,Pinoresinol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O,HGXBRUKMWQGOIE-AFHBHXEDSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
73509,homoserine lactone,OtherMutliCpd,Compound,C1COC(=O)C1N,QJPWUUJVYOJNMH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
73530,5470-37-1,OtherMutliCpd,Compound,CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2,ZUPHXNBLQCSEIA-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
73533,Catechin 7-O-beta-D-xyloside,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)C4=CC(=C(C=C4)O)O)O,UQKKDJWFQBNZBJ-MLYGIHNMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
73548,Dehydrodiisoeugenol,OtherMutliCpd,Compound,CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC,ITDOFWOJEDZPCF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
73568,Corilagin,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O,TUSDEZXZIZRFGC-XIGLUPEJSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
73571,Sakuranetin,OtherMutliCpd,Compound,COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
73635,Homoeriodictyol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,FTODBIPDTXRIGS-ZDUSSCGKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
73636,Liriodendrin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC,FFDULTAFAQRACT-DVWYHDMESA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
73649,Isoneorautenol,OtherMutliCpd,Compound,CC1(C=CC2=CC3=C(C=C2O1)OC4C3COC5=C4C=CC(=C5)O)C,WTKJOOHYNMPGLE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
73750,S-Methyl thioacetate,OtherMutliCpd,Compound,CC(=O)SC,OATSQCXMYKYFQO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Thiocarboxylic acids and derivatives,Thioesters,Thioesters,none,none,none,none,none,none
73772,Cyclohexyl valerate,OtherMutliCpd,Compound,CCCCC(=O)OC1CCCCC1,YLCHTSSXNSNXSW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
73917,5-Methoxy-5-oxopentanoic acid,OtherMutliCpd,Compound,COC(=O)CCCC(=O)O,IBMRTYCHDPMBFN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
74008,Amyl 2-furoate,OtherMutliCpd,Compound,CCCCCOC(=O)C1=CC=CO1,BGJZMKPSRLHMME-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
74038,"1-(2-Furyl)propane-1	2-dione",OtherMutliCpd,Compound,CC(=O)C(=O)C1=CC=CO1,JXZJRYDTSDCGLO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,none,none,none,none,none
74346,2-Ethyl-5-methylfuran,OtherMutliCpd,Compound,CCC1=CC=C(O1)C,NBXLPPVOZWYADY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
74361,"2-Hexyl-1	3-dioxan-5-ol",OtherMutliCpd,Compound,CCCCCCC1OCC(CO1)O,ZIWLHBBLQRQFSA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxanes,1--3-dioxanes,1--3-dioxanes,none,none,none,none,none,none
74362,"2-Phenyl-1	3-dioxan-5-ol",OtherMutliCpd,Compound,C1C(COC(O1)C2=CC=CC=C2)O,BWKDAAFSXYPQOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxanes,1--3-dioxanes,1--3-dioxanes,none,none,none,none,none,none
74477,Oroselone,OtherMutliCpd,Compound,CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3,FQCPXIJRWHRHIP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
74563,2-Oxopentanoic acid,OtherMutliCpd,Compound,CCCC(=O)C(=O)O,KDVFRMMRZOCFLS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
74572,Phenyl vinyl sulfide,OtherMutliCpd,Compound,C=CSC1=CC=CC=C1,GMPDOIGGGXSAPL-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
74688,Hydroxyindoleacetaldehyde,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=CN2)CC=O,OBFAPCIUSYHFIE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
74706,methyl 2-(1H-indol-3-yl)acetate,OtherMutliCpd,Compound,COC(=O)CC1=CNC2=CC=CC=C21,KTHADMDGDNYQRX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
74708,2-Hydroxyxanthone,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)O,WSACHQJPCNOREV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
74709,"3-Hydroxy-4	5-dimethoxybenzoic acid",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)O)C(=O)O,WFIBQVFJXGQICQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
74822,1-Heptacosanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCO,ULCZGKYHRYJXAU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
74839,N-Acetyl-L-phenylalanine,OtherMutliCpd,Compound,CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O,CBQJSKKFNMDLON-JTQLQIEISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
74901,Isopentyl valerate,OtherMutliCpd,Compound,CCCCC(=O)OCCC(C)C,UBLAMKHIFZBBSS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
74989,ATOVAQUONE,Drug,Compound,C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O,BSJMWHQBCZFXBR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
75049,3-Hydroxypropanal,OtherMutliCpd,Compound,C(CO)C=O,AKXKFZDCRYJKTF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
75187,4-Methylbenzyl acetate,OtherMutliCpd,Compound,CC1=CC=C(C=C1)COC(=O)C,WDCUPFMSLUIQBH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
75231,4-Methoxysalicylic acid,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C(=O)O)O,MRIXVKKOHPQOFK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
75318,Monoethyl phthalate,OtherMutliCpd,Compound,CCOC(=O)C1=CC=CC=C1C(=O)O,YWWHKOHZGJFMIE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
75320,Isoamyl decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCCC(C)C,XDOGFYDZGUDBQY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
75324,Temurin,OtherMutliCpd,Compound,CN1C2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C,QGDOQULISIQFHQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
75364,2-Tetradecanone,OtherMutliCpd,Compound,CCCCCCCCCCCCC(=O)C,POQLVOYRGNFGRM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
75370,2-Isopropylhydroquinone,OtherMutliCpd,Compound,CC(C)C1=C(C=CC(=C1)O)O,HIGSPBFIOSHWQG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
75427,(R)-(+)-Citronellal,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)CC=O,NEHNMFOYXAPHSD-SNVBAGLBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
75515,S-Methyl hexanethioate,OtherMutliCpd,Compound,CCCCCC(=O)SC,AKGAHYLJHAOPKQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Fatty acyl thioesters,none,none,none,none,none,none
75547,2-Hydroxyfluorene,OtherMutliCpd,Compound,C1C2=CC=CC=C2C3=C1C=C(C=C3)O,ZDOIAPGLORMKTR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Fluorenes,none,Fluorenes,none,none,none,none,none,none
75550,"2	6-Di-tert-butylhydroquinone",OtherMutliCpd,Compound,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O,JFGVTUJBHHZRAB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
75725,2-(Methylamino)isobutyric acid,OtherMutliCpd,Compound,CC(C)(C(=O)O)NC,DLAMVQGYEVKIRE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
75787,5-Methoxysalicylic acid,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)O)C(=O)O,IZZIWIAOVZOBLF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,M-methoxybenzoic acids and derivatives,none,none,none,none,none
75815,3-Phenylpropyl isothiocyanate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCN=C=S,GRUOGLPIAPZLHJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
76326,Ethyl 2-ethylbutanoate,OtherMutliCpd,Compound,CCC(CC)C(=O)OCC,MJGSLNIPTRPYJV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
76529,3089-16-5,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)Cl)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=CC=C5Cl,BFEJTCHFLJECJN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Pyridoacridines,none,none,none,none,none
76581,4-Methoxypyridoxine,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)COC)CO,SVINQHQHARVZFF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridoxines,Pyridoxines,none,none,none,none,none,none
76600,"Methyl 2	4	6-trihydroxybenzoate",OtherMutliCpd,Compound,COC(=O)C1=C(C=C(C=C1O)O)O,AQDIJIAUYXOCGX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
76617,Cardol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,KVVSCMOUFCNCGX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
76623,"4-nitrobenzene-1	3-diol",OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)[N+](=O)[O-],CYEZXDVLBGFROE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Nitrophenols,Nitrophenols,none,none,none,none,none,none
76662,2-Propionylfuran,OtherMutliCpd,Compound,CCC(=O)C1=CC=CO1,HCPORNAVHSWTOJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
76720,"2	5-Furandicarboxylic acid",OtherMutliCpd,Compound,C1=C(OC(=C1)C(=O)O)C(=O)O,CHTHALBTIRVDBM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acids,none,none,none,none,none,none
76744,2-Methyl-5-phenylpyridine,OtherMutliCpd,Compound,CC1=NC=C(C=C1)C2=CC=CC=C2,JXNAIOCJWBJGFQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
77073,Patent Blue V,OtherMutliCpd,Compound,CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2],RTMBGDBBDQKNNZ-UHFFFAOYSA-L,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
77199,2-Ethyl-2-hydroxybutyric acid,OtherMutliCpd,Compound,CCC(CC)(C(=O)O)O,LXVSANCQXSSLPA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
77387,"2	4	6-Trimethoxybenzophenone",OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)OC)C(=O)C2=CC=CC=C2)OC,KFZFLPQFBYUOHV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
77408,2-Hexylfuran,OtherMutliCpd,Compound,CCCCCCC1=CC=CO1,XBLCAKKYMZVLPU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
77462,2-Ethyl-4-methylphenol,OtherMutliCpd,Compound,CCC1=C(C=CC(=C1)C)O,AVVVXUXMKWPKAJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
77470,3864-99-1,OtherMutliCpd,Compound,CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C,UWSMKYBKUPAEJQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Triazoles,Phenyltriazoles,Phenyl-1--2--3-triazoles,none,none,none,none,none
77907,2-Propylfuran,OtherMutliCpd,Compound,CCCC1=CC=CO1,CPLJMYOQYRCCBY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
77990,Rivastigmine tartrate,Drug,Compound,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,GWHQHAUAXRMMOT-RWALOXMOSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxy compounds,Phenoxy compounds,none,none,none,none,none,none
77992,Frovatriptan,Drug,Compound,CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N,XPSQPHWEGNHMSK-SECBINFHSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
77993,Eletriptan,Drug,Compound,CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4,PWVXXGRKLHYWKM-LJQANCHMSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
77999,rosiglitazone,Drug,Compound,CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3,YASAKCUCGLMORW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
78016,4-O-Methylgallic acid,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)C(=O)O)O,UBXDWYFLYYJQFR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
78103,4390-92-5,OtherMutliCpd,Compound,CCCC(=O)C1=C(C=C(C=C1)O)O,IWADIQGGJLCBRK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
78126,2-Phenylethanethiol,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCS,ZMRFRBHYXOQLDK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
78199,Ethyl (methylthio)acetate,OtherMutliCpd,Compound,CCOC(=O)CSC,MDIAKIHKBBNYHF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
78236,4-Nonanone,OtherMutliCpd,Compound,CCCCCC(=O)CCC,TYBCSQFBSWACAA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
78300,5-Pyridoxolactone,OtherMutliCpd,Compound,CC1=NC=C2C(=C1O)COC2=O,PPAXBSPBIWBREI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
78405,3-Propylpyridine,OtherMutliCpd,Compound,CCCC1=CN=CC=C1,MLAXEZHEGARMPE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
78476,"2-Benzyl-1	3-dioxan-5-ol",OtherMutliCpd,Compound,C1C(COC(O1)CC2=CC=CC=C2)O,SCBQUBIXYNMXER-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxanes,1--3-dioxanes,1--3-dioxanes,none,none,none,none,none,none
78700,5001-80-9,Xenobiotic,Compound,C(NC1=NC(=NC(=N1)N)NCO)O,SUPOBRXPULIDDX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Triazines,Aminotriazines,N-aliphatic s-triazines,none,none,none,none,none,none
78821,1-Methyladenine,OtherMutliCpd,Compound,CN1C=NC2=NC=NC2=C1N,HPZMWTNATZPBIH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
78925,2-(Methylthio)ethanol,OtherMutliCpd,Compound,CSCCO,WBBPRCNXBQTYLF-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Dialkylthioethers,Dialkylthioethers,none,none,none,none,none,none
79025,alpha-D-glucose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,WQZGKKKJIJFFOK-DVKNGEFBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
79034,12-Hydroxydodecanoic acid,OtherMutliCpd,Compound,C(CCCCCC(=O)O)CCCCCO,ZDHCZVWCTKTBRY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
79075,2-Stearoylglycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,YQEMORVAKMFKLG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
79094,Alanylglycine,OtherMutliCpd,Compound,CC(C(=O)NCC(=O)O)N,CXISPYVYMQWFLE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
79101,gly-pro,OtherMutliCpd,Compound,C1CC(N(C1)C(=O)CN)C(=O)O,KZNQNBZMBZJQJO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
79126,"1	5-Hexanediol",OtherMutliCpd,Compound,CC(CCCCO)O,UNVGBIALRHLALK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
79248,1-(2-Thienyl)-1-butanone,OtherMutliCpd,Compound,CCCC(=O)C1=CC=CS1,YXHIINNJOGKPLF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
79340,Methyl thiophene-2-carboxylate,OtherMutliCpd,Compound,COC(=O)C1=CC=CS1,PGBFYLVIMDQYMS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thiophenes,Thiophene carboxylic acids and derivatives,Thiophene carboxylic acids and derivatives,none,none,none,none,none,none
79437,"1	3	7-Trimethyluric acid",OtherMutliCpd,Compound,CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C,BYXCFUMGEBZDDI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
79730,"4'	5	7-Trimethoxyflavone",OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)OC,ZXJJBDHPUHUUHD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
79786,4-Ethylbiphenyl,OtherMutliCpd,Compound,CCC1=CC=C(C=C1)C2=CC=CC=C2,SRQOBNUBCLPPPH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
79990,"4-Ethyl-1	2-dimethoxybenzene",OtherMutliCpd,Compound,CCC1=CC(=C(C=C1)OC)OC,NEBQMYHKOREVAL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
80018,1-Methylhexyl acetate,OtherMutliCpd,Compound,CCCCCC(C)OC(=O)C,VJYWBLDDQZIGJI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
80024,S-Methyl benzenecarbothioate,OtherMutliCpd,Compound,CSC(=O)C1=CC=CC=C1,RQVWTMCUTHKGCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids and derivatives,none,none,none,none,none,none
80131,6032-32-2,OtherMutliCpd,Compound,COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,SIXFVXJMCGPTRB-UJPOAAIJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
80220,1-Methylxanthine,OtherMutliCpd,Compound,CN1C(=O)C2=C(NC1=O)N=CN2,MVOYJPOZRLFTCP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
80267,3-Ethyl-p-cresol,OtherMutliCpd,Compound,CCC1=C(C=CC(=C1)O)C,BTRPJOHXPQOVLS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
80278,POTASSIUM GLYCEROPHOSPHATE,OtherMutliCpd,Compound,C(C(COP(=O)([O-])[O-])O)O.[K+].[K+],CHFUHGDBYUITQJ-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
80281,1-NONADECANOL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCO,XGFDHKJUZCCPKQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
80283,L-2-Aminobutyric acid,OtherMutliCpd,Compound,CC[C@@H](C(=O)O)N,QWCKQJZIFLGMSD-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
80314,"2	4-Nonanedione",OtherMutliCpd,Compound,CCCCCC(=O)CC(=O)C,KFBXUKHERGLHLG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,Beta-diketones,none,none,none,none,none
80349,4-Nitrophenyl sulfate,OtherMutliCpd,Compound,C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)O,JBGHTSSFSSUKLR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
80455,2-(Ethoxymethyl)furan,OtherMutliCpd,Compound,CCOCC1=CC=CO1,BHGBNDNKYPEAAT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
80584,"(2	2-Diethoxyethyl)benzene",OtherMutliCpd,Compound,CCOC(CC1=CC=CC=C1)OCC,FYERTDTXGGOMGT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
80642,5-Hydroxymethyl-2-furancarboxylic acid,OtherMutliCpd,Compound,C1=C(OC(=C1)C(=O)O)CO,PCSKKIUURRTAEM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acids,none,none,none,none,none,none
80714,5-Sulfoisophthalic acid,OtherMutliCpd,Compound,C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O,CARJPEPCULYFFP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Sulfobenzoic acids,3-sulfobenzoic acids,none,none,none,none,none
80790,Carvacryl methyl ether,OtherMutliCpd,Compound,CC1=C(C=C(C=C1)C(C)C)OC,YVLHTQPPMZOCOW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
80792,Carvacryl acetate,OtherMutliCpd,Compound,CC1=C(C=C(C=C1)C(C)C)OC(=O)C,OXZSUQJHKQOGOK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
80922,"3	4	5-Trimethoxytoluene",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)OC)OC)OC,KCIZTNZGSBSSRM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
81037,Bayer 48772,OtherMutliCpd,Compound,CC1=C(C=CC(=C1)OP(=S)(C)OC)S(=O)C,DHPHGWYFHFFKAH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenyl sulfoxides,Phenyl sulfoxides,none,none,none,none,none,none
81045,hexyl nonanoate,OtherMutliCpd,Compound,CCCCCCCCC(=O)OCCCCCC,GPHBCFMWKGZPRP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
81142,6639-62-9,OtherMutliCpd,Compound,COC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O,YWLDQSMTDJWJCC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
81221,"2	4-Dimethylanisole",OtherMutliCpd,Compound,CC1=CC(=C(C=C1)OC)C,UJCFZCTTZWHRNL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
81319,2-butyl-4-methylphenol,OtherMutliCpd,Compound,CCCCC1=C(C=CC(=C1)C)O,FEXBEKLLSUWSIM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
81596,3-Phenoxypropionic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)OCCC(=O)O,BUSOTUQRURCMCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,3-phenoxypropionic acids,3-phenoxypropionic acids,none,none,none,none,none,none
81964,2-Phenylethyl pentanoate,OtherMutliCpd,Compound,CCCCC(=O)OCCC1=CC=CC=C1,PDGPIBIURNPBSE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
81972,7464-93-9,OtherMutliCpd,Compound,CN1C2=C(C(=O)N(C(=O)N2C)C)NC1=O,CWENCZHQIWXCCA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
82142,"Alanine	 3-(methylsulfinyl)-",OtherMutliCpd,Compound,CS(=O)CC(C(=O)O)N,ZZLHPCSGGOGHFW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
82146,Bexarotene,Drug,Compound,CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C,NAVMQTYZDKMPEU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
82153,flunisolide,Drug,Compound,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O,XSFJVAJPIHIPKU-XWCQMRHXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
82208,Molybdic acid,OtherMutliCpd,Compound,O[Mo](=O)(=O)O,VLAPMBHFAWRUQP-UHFFFAOYSA-L,Inorganic compounds,Mixed metal/non-metal compounds,Miscellaneous mixed metal/non-metals,Miscellaneous metallic oxoanionic compounds,Miscellaneous molybdates,none,none,none,none,none,none
82336,Methyl 2-(dimethylamino)benzoate,OtherMutliCpd,Compound,CN(C)C1=CC=CC=C1C(=O)OC,ZCNSBHAIPOWHJE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
82400,"alpha-D-Glucose 1	6-bisphosphate",OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O,RWHOZGRAXYWRNX-VFUOTHLCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
82452,3-(4-Hydroxyphenyl)-1-propanol,OtherMutliCpd,Compound,C1=CC(=CC=C1CCCO)O,NJCVPQRHRKYSAZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
82530,3'-O-Methyladenosine,OtherMutliCpd,Compound,CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)CO,RYAFZRROCNNRFK-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
82635,Hexyl decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCCCCCC,DGPNTCACXCHFDI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
82755,Hydroxytyrosol,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCO)O)O,JUUBCHWRXWPFFH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols,none,none,none,none,none,none
83126,"3	7-Dimethyluric acid",OtherMutliCpd,Compound,CN1C2=C(NC1=O)N(C(=O)NC2=O)C,HMLZLHKHNBLLJD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
83182,Kyselina pangamova [Czech],OtherMutliCpd,Compound,CC(C)N(C(C)C)C(C(=O)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)N(C(C)C)C(C)C,RVSTWRHIGKXTLG-WCXIOVBPSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
83252,"7H-Purine-6	8-diol",OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)NC(=O)N2,BYUOBSUZYQAFJM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,Hypoxanthines,none,none,none,none,none
83574,Triundecanoin,OtherMutliCpd,Compound,CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC,MBXVIRZWSHICAV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
83652,"1-(2-Thienyl)propane-1	2-dione",OtherMutliCpd,Compound,CC(=O)C(=O)C1=CC=CS1,FDYDDUUWFJQMQC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,none,none,none,none,none
83653,2-Acetyl-3-methylthiophene,OtherMutliCpd,Compound,CC1=C(SC=C1)C(=O)C,YBJDKNXEWQSGEL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
83655,2-Acetyl-5-methylthiophene,OtherMutliCpd,Compound,CC1=CC=C(S1)C(=O)C,YOSDTJYMDAEEAZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
83671,"3	4-Heptanedione",OtherMutliCpd,Compound,CCCC(=O)C(=O)CC,LBCCPKFTHIBIKU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-diketones,none,none,none,none,none
83697,13748-90-8,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)O)O,LVRFTAZAXQPQHI-YFKPBYRVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
83814,Biocytin,OtherMutliCpd,Compound,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,BAQMYDQNMFBZNA-MNXVOIDGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
83887,D-Aspartic acid,OtherMutliCpd,Compound,C([C@H](C(=O)O)N)C(=O)O,CKLJMWTZIZZHCS-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
83944,Acetaminophen glucuronide,OtherMutliCpd,Compound,CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,IPROLSVTVHAQLE-BYNIDDHOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
84234,Methyl phenyl disulfide,OtherMutliCpd,Compound,CSSC1=CC=CC=C1,LMSQHVXHZCNJEP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
84265,alpha-GalNAc,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,OVRNDRQMDRJTHS-CBQIKETKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
84290,2-octanamidoacetic acid,OtherMutliCpd,Compound,CCCCCCCC(=O)NCC(=O)O,SAVLIIGUQOSOEP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
84571,alpha-lactose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,GUBGYTABKSRVRQ-XLOQQCSPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
84675,14861-16-6,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,MLRIJUWUQTVDQE-MBJXGIAVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
84681,14897-78-0,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)CCC(=O)O,BPPVOXVSMSXBEI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
84740,685-73-4,OtherMutliCpd,Compound,C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O,IAJILQKETJEXLJ-RSJOWCBRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
84825,rosefuran,OtherMutliCpd,Compound,CC1=C(OC=C1)CC=C(C)C,UTSGPHXOHJSDBC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
85224,2-Methyl-3-propylpyrazine,OtherMutliCpd,Compound,CCCC1=NC=CN=C1C,XAWKNALRUSOTOY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
85228,2-Butyl-3-methylpyrazine,OtherMutliCpd,Compound,CCCCC1=NC=CN=C1C,IRSIKJPEFMMRHD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
85519,3-(Methylthio)propyl acetate,OtherMutliCpd,Compound,CC(=O)OCCCSC,LPZQTNIAYMRVMF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
85522,Methyl (methylthio)acetate,OtherMutliCpd,Compound,COC(=O)CSC,HZYCAKGEXXKCDM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Methyl esters,none,none,none,none,none
85534,"N-(2	6-Diethylphenyl)acetamide",OtherMutliCpd,Compound,CCC1=C(C(=CC=C1)CC)NC(=O)C,SNPZDXACCGIJNK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Acetanilides,none,none,none,none,none,none
85536,16669-42-4,OtherMutliCpd,Compound,CC(C)(C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)O)Cl)Cl,OJTHLNYBRBMCBW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Bisphenols,none,none,none,none,none,none
85548,5-Ketostearic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CCCC(=O)O,UIROXHXJKJUFSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
85704,NARINGEN,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O,HXTFHSYLYXVTHC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
85705,AC1Q6OSK,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O,RMCRQBAILCLJGU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
85782,"3	4-Dihydroxymandelic acid",OtherMutliCpd,Compound,C1=CC(=C(C=C1C(C(=O)O)O)O)O,RGHMISIYKIHAJW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
85880,DL-Arginine hydrochloride,OtherMutliCpd,Compound,C(CC(C(=O)O)N)CN=C(N)N.Cl,KWTQSFXGGICVPE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
86103,Flufenprox,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)C(COCC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F,RURQAJURNPMSSK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
86367,Cyprodinil,OtherMutliCpd,Compound,CC1=NC(=NC(=C1)C2CC2)NC3=CC=CC=C3,HAORKNGNJCEJBX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
86418,Imidacloprid,OtherMutliCpd,Compound,C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl,YWTYJOPNNQFBPC-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Guanidines,Nitroguanidines,none,none,none,none,none,none
86453,Cloransulam-methyl,OtherMutliCpd,Compound,CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F,BIKACRYIQSLICJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
86536,2449-49-2,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)N(C)C,BVURNMLGDQYNAF-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
86677,stearoyllactic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O,QMGGUIASDZZMHS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
86752,4-Menthen-8-ol,OtherMutliCpd,Compound,CC1CCC(=CC1)C(C)(C)O,HMXMWOXFKFLOGK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
86753,p-Menth-1-en-9-ol,OtherMutliCpd,Compound,CC1=CCC(CC1)C(C)CO,ZTYHGIAOVUPAAH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
86818,2-methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal,OtherMutliCpd,Compound,CC(C)C1CCC(=CC1)CC(C)C=O,YWGFDOIOHHXYKQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
86845,Urothion,OtherMutliCpd,Compound,CSC1=C(SC2=C1N=C3C(=N2)NC(=NC3=O)N)C(CO)O,RPUOVNROVSNPBD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pterins and derivatives,none,none,none,none,none,none
86850,"Cyclohexanol	 2-methyl-5-(1-methylethyl)-",OtherMutliCpd,Compound,CC1CCC(CC1O)C(C)C,ULJXKUJMXIVDOY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
86869,"7-Isopropyl-1	1	4a-trimethyl-1	2	3	4	4a	9	10	10a-octahydrophenanthrene",OtherMutliCpd,Compound,CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C,QUUCYKKMFLJLFS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
86895,Cuparene,OtherMutliCpd,Compound,CC1=CC=C(C=C1)[C@@]2(CCCC2(C)C)C,SLKPBCXNFNIJSV-HNNXBMFYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
86957,3-Hydroxymandelic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C(C(=O)O)O,OLSDAJRAVOVKLG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
87027,"1-Phenyloctadecane-1	3-dione",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,BKUAQOCVPRDREL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
87083,m-Methylbenzyl acetate,OtherMutliCpd,Compound,CC1=CC(=CC=C1)COC(=O)C,QPTQLFCBVFKFLY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
87085,o-Methylbenzyl acetate,OtherMutliCpd,Compound,CC1=CC=CC=C1COC(=O)C,BKKDUUVBVHYZFA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
87170,1-Ethoxy-2-methoxybenzene,OtherMutliCpd,Compound,CCOC1=CC=CC=C1OC,OMONCKYJLBVWOQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
87177,UNII-Q7GN4HW47S,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H](C(=O)CO)O)O)O)O)O,PFCRQPBOOFTZGQ-RGXJTGTOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
87637,"2	5-Dimethyl-3-propylpyrazine",OtherMutliCpd,Compound,CCCC1=NC(=CN=C1C)C,ARRSOXMGLBJPNV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
87909,"7	9-Dimethyluric acid",OtherMutliCpd,Compound,CN1C2=C(NC(=O)NC2=O)N(C1=O)C,ZWFQLYWQCGUUNB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
88064,N-Acetyl-L-alanine,OtherMutliCpd,Compound,C[C@@H](C(=O)O)NC(=O)C,KTHDTJVBEPMMGL-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
88111,Valproic acid glucuronide,OtherMutliCpd,Compound,CCCC(CCC)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,XXKSYIHWRBBHIC-JVWRJRKNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
88290,19872-52-7,OtherMutliCpd,Compound,CC(=O)CC(C)(C)S,QRNZMFDCKKEPSX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
88299,AAMU,OtherMutliCpd,Compound,CC(=O)NC1=C(NC(=O)N(C1=O)C)N,POQOTWQIYYNXAT-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,N-arylamides,N-acetylarylamines,none,none,none,none,none,none
88302,trans-Pinocarveol,OtherMutliCpd,Compound,CC1([C@@H]2C[C@H]1C(=C)[C@H](C2)O)C,LCYXQUJDODZYIJ-VGMNWLOBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
88412,N-Butyrylglycine,OtherMutliCpd,Compound,CCCC(=O)NCC(=O)O,WPSSBBPLVMTKRN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
88454,Hexyl propionate,OtherMutliCpd,Compound,CCCCCCOC(=O)CC,GOKKOFHHJFGZHW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
88735,Isomalt,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O,SERLAGPUMNYUCK-DCUALPFSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
88847,21271-21-6,OtherMutliCpd,Compound,CN(C)CCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3.Br,NADLOUKASJSMIH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,none,none,none,none,none,none
88881,"5	7-Dimethoxyflavone",OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC,JRFZSUMZAUHNSL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
89287,AC1L3HJJ,OtherMutliCpd,Compound,C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC,HUJXHFRXWWGYQH-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
89306,2-Bornyl propionate,OtherMutliCpd,Compound,CCC(=O)OC1CC2CCC1(C2(C)C)C,FAFMZORPAAGQFV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
89307,octan-3-yl butanoate,OtherMutliCpd,Compound,CCCCCC(CC)OC(=O)CCC,USSKZVIXWTWCGK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
89366,2-Amino-3-(1H-indol-3-yl)propanamide,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N,JLSKPBDKNIXMBS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
89421,dl-Codamine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)OC,OKORHWXYDBSYNO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
89437,p-Menthan-1-ol,OtherMutliCpd,Compound,CC(C)C1CCC(CC1)(C)O,CMLYGGFIXXLYQT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
89440,Tonalid,OtherMutliCpd,Compound,CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C,DNRJTBAOUJJKDY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
89472,O-Desmethylangolensin,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O,JDJPNKPFDDUBFV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Alpha-methyldeoxybenzoin flavonoids,none,Alpha-methyldeoxybenzoin flavonoids,none,none,none,none,none,none
89488,Phellandral,OtherMutliCpd,Compound,CC(C)C1CCC(=CC1)C=O,AEVLWICMAHGAMS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
89594,nicotine,OtherMutliCpd,Compound,CN1CCC[C@H]1C2=CN=CC=C2,SNICXCGAKADSCV-JTQLQIEISA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
90246,S-Methyl 3-methylbutanethioate,OtherMutliCpd,Compound,CC(C)CC(=O)SC,MPLWTJZAFOVXKP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Fatty acyl thioesters,none,none,none,none,none,none
90716,6-Methylheptanoic acid,OtherMutliCpd,Compound,CC(C)CCCCC(=O)O,OEOIWYCWCDBOPA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
90806,Bisabolol oxide A,OtherMutliCpd,Compound,CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C,WJHRAVIQWFQMKF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
90840,3-propyloxan-2-one,OtherMutliCpd,Compound,CCCC1CCCOC1=O,LANLMKRVDNOZFB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
90927,"1	3-Octanediol",OtherMutliCpd,Compound,CCCCCC(CCO)O,DCTMXCOHGKSXIZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
90969,23727-15-3,OtherMutliCpd,Compound,CC1=CC[C@H](C1(C)C)CC=O,OGCGGWYLHSJRFY-VIFPVBQESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
90972,Ethyl 2-(methyldithio)propionate,OtherMutliCpd,Compound,CCOC(=O)C(C)SSC,DZOQRCWJNNRVPT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
91394,25317-10-6,OtherMutliCpd,Compound,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)O,QEFJYMFUMVHTBR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Sulfonated stilbenes,Sulfonated stilbenes,none,none,none,none,none,none
91434,Sambunigrin,OtherMutliCpd,Compound,C1=CC=C(C=C1)[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,ZKSZEJFBGODIJW-YOVYLDAJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
91439,Smilagenin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,GMBQZIIUCVWOCD-UQHLGXRBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
91440,Sennoside B,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,IPQVTOJGNYVQEO-AIFLABODSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
91451,17-Hydroxypregnenolone,OtherMutliCpd,Compound,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,JERGUCIJOXJXHF-TVWVXWENSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
91457,beta-Eudesmol,OtherMutliCpd,Compound,C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O,BOPIMTNSYWYZOC-VNHYZAJKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
91469,Equol,OtherMutliCpd,Compound,C1[C@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O,ADFCQWZHKCXPAJ-GFCCVEGCSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanols,none,none,none,none,none,none
91477,4-Cholesten-3-one,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,NYOXRYYXRWJDKP-GYKMGIIDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
91482,DL-o-Tyrosine,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CC(C(=O)O)N)O,WRFPVMFCRNYQNR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
91486,Sphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O,OTKJDMGTUTTYMP-ZWKOTPCHSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,none,none,none,none,none
91493,6-phosphogluconic acid,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,BIRSGZKFKXLSJQ-SQOUGZDYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
91498,"5alpha	6beta-Dihydroxycholestanol",OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C,YMMFNKXZULYSOQ-RUXQDQFYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
91508,"2	3-Epoxypinane",OtherMutliCpd,Compound,CC1(C2CC1C3(C(C2)O3)C)C,NQFUSWIGRKFAHK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
91528,"4-(1	2-dihydroxyethyl)benzene-1	2-diol",OtherMutliCpd,Compound,C1=CC(=C(C=C1C(CO)O)O)O,MTVWFVDWRVYDOR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
91531,Deoxyinosine monophosphate,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)O,PHNGFPPXDJJADG-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside monophosphates,Purine 2'-deoxyribonucleoside monophosphates,none,none,none,none,none
91559,Betanine,OtherMutliCpd,Compound,C1[C@H](N=C(C=C1C=CN2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O,CTMLKIKAUFEMLE-FMOSSLLZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
91588,Salsolinol,OtherMutliCpd,Compound,C[C@H]1C2=CC(=C(C=C2CCN1)O)O,IBRKLUSXDYATLG-LURJTMIESA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
91611,"1	7-Dimethyluric acid",OtherMutliCpd,Compound,CN1C2=C(NC1=O)NC(=O)N(C2=O)C,NOFNCLGCUJJPKU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
91623,"3	4-Dihydroxybenzylamine",OtherMutliCpd,Compound,C1=CC(=C(C=C1CN)O)O,YFMPSMITLLBENU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
91637,2-Methylhippuric acid,OtherMutliCpd,Compound,CC1=CC=CC=C1C(=O)NCC(=O)O,YOEBAVRJHRCKRE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
91638,Deacetyldiltiazem,OtherMutliCpd,Compound,CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC,NZHUXMZTSSZXSB-MOPGFXCFSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazepines,none,Benzothiazepines,none,none,none,none,none,none
91650,Pyrimethanil,OtherMutliCpd,Compound,CC1=CC(=NC(=N1)NC2=CC=CC=C2)C,ZLIBICFPKPWGIZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Aniline and substituted anilines,none,none,none,none,none,none
91665,Pyroquilon,OtherMutliCpd,Compound,C1CC(=O)N2CCC3=CC=CC1=C32,XRJLAOUDSILTFT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
91695,Fenpropimorph,OtherMutliCpd,Compound,CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C,RYAUSSKQMZRMAI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
91776,Thiazopyr,OtherMutliCpd,Compound,CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)F)C(F)(F)F)C2=NCCS2,YIJZJEYQBAAWRJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
91849,Benzyl 2-methylbutanoate,OtherMutliCpd,Compound,CCC(C)C(=O)OCC1=CC=CC=C1,PTKDIBUNVYIPOD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
91978,Anther,OtherMutliCpd,Compound,CC(C)CCOCCC1=CC=CC=C1,BHQBQWOZHYUVTL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
92092,87-81-0,OtherMutliCpd,Compound,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,BJHIKXHVCXFQLS-PQLUHFTBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
92095,Sarsasapogenin,OtherMutliCpd,Compound,C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,GMBQZIIUCVWOCD-WWASVFFGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
92105,1-Methyl-L-histidine,OtherMutliCpd,Compound,CN1C=C(N=C1)C[C@@H](C(=O)O)N,BRMWTNUJHUMWMS-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
92109,Gibberellin A4,OtherMutliCpd,Compound,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,RSQSQJNRHICNNH-NFMPGMCNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
92128,5alpha-Cholestan-3-one,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,PESKGJQREUXSRR-UXIWKSIVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
92131,Manool,OtherMutliCpd,Compound,C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CCC(C)(C=C)O)(C)C,CECREIRZLPLYDM-OQLBXJDTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
92132,5beta-Cholestan-3-one,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,PESKGJQREUXSRR-JDIFZLMISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
92135,(R)-3-Hydroxybutanoic acid,OtherMutliCpd,Compound,C[C@H](CC(=O)O)O,WHBMMWSBFZVSSR-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
92138,Elemol,OtherMutliCpd,Compound,CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O,GFJIQNADMLPFOW-VNHYZAJKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Elemane sesquiterpenoids,none,none,none,none,none,none
92157,Lupeol acetate,OtherMutliCpd,Compound,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C,ODSSDTBFHAYYMD-YOJQYFTNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
92180,2365-40-4,OtherMutliCpd,Compound,CC(=CCNC1=NC=NC2=C1NC=N2)C,HYVABZIGRDEKCD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
92247,1-Pentacosanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCO,IACKKVBKKNJZGN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
92258,Phenylacetylglutamine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O,JFLIEFSWGNOPJJ-JTQLQIEISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
92272,Monoisobutyl phthalate,OtherMutliCpd,Compound,CC(C)COC(=O)C1=CC=CC=C1C(=O)O,RZJSUWQGFCHNFS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
92425,Flumioxazin,OtherMutliCpd,Compound,C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F,FOUWCSDKDDHKQP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Benzoxazinones,Benzoxazinones,none,none,none,none,none,none
92721,Argatroban monohydrate,Drug,Compound,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O,AIEZTKLTLCMZIA-CZSXTPSTSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
92732,Laudanine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC,MPYHGNAJOKCMAQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
92746,Zymosterol,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,CGSJXLIKVBJVRY-XTGBIJOFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
92747,20-beta-Progerol,OtherMutliCpd,Compound,C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,RWBRUCCWZPSBFC-SJOKZOANSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
92748,Allotetrahydrocortisol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O,AODPIQQILQLWGS-FDSHTENPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
92772,491-14-5,OtherMutliCpd,Compound,CCC(C)C1CC(C(=C1)C(CC(C(C(=O)O)O)O)O)C(C)CC,RKOUCPMGBBKLNK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
92775,Butin,OtherMutliCpd,Compound,C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O,MJBPUQUGJNAPAZ-AWEZNQCLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
92779,2-Hydroxy-4-methylpentanoic acid,OtherMutliCpd,Compound,CC(C)CC(C(=O)O)O,LVRFTAZAXQPQHI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
92780,Crypton,OtherMutliCpd,Compound,CC(C)C1CCC(=O)C=C1,AANMVENRNJYEMK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,Cyclohexenones,none,none,none,none
92786,Allopregnanolone,OtherMutliCpd,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C,AURFZBICLPNKBZ-SYBPFIFISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
92787,Allopregnanolone,OtherMutliCpd,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,AURFZBICLPNKBZ-FZCSVUEKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
92793,Pulegol,OtherMutliCpd,Compound,CC1CCC(=C(C)C)C(C1)O,JGVWYJDASSSGEK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
92794,Prunin,OtherMutliCpd,Compound,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O,DLIKSSGEMUFQOK-SFTVRKLSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
92805,Hyocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,DKPMWHFRUGMUKF-KWXDGCAGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
92810,"5a-Pregnane-3	20-dione",OtherMutliCpd,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,XMRPGKVKISIQBV-BJMCWZGWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
92823,"2'	3'-Cyclic GMP",OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N,UASRYODFRYWBRC-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Cyclic purine nucleotides,2'--3'-cyclic purine nucleotides,none,none,none,none,none,none
92824,D-(+)-malic acid,OtherMutliCpd,Compound,C([C@H](C(=O)O)O)C(=O)O,BJEPYKJPYRNKOW-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
92832,692-04-6,OtherMutliCpd,Compound,CC(=O)NCCCC[C@@H](C(=O)O)N,DTERQYGMUDWYAZ-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
92836,2-Hydroxyhexadecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(C(=O)O)O,JGHSBPIZNUXPLA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
92843,Glycyl-L-leucine,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)O)NC(=O)CN,DKEXFJVMVGETOO-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
92851,D-cysteine,OtherMutliCpd,Compound,C([C@H](C(=O)O)N)S,XUJNEKJLAYXESH-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
92865,gamma-Glutamylglutamate,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N,OWQDWQKWSLFFFR-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
92877,Androstanol,OtherMutliCpd,Compound,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC2)C)O,DJTOLSNIKJIDFF-LOVVWNRFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
92880,Methyl lithocholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,YXZVCZUDUJEPPK-ULCLHEGSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
92904,Indole-3-lactic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O,XGILAAMKEQUXLS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
92910,MELANOSTATIN,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1,NOOJLZTTWSNHOX-UWVGGRQHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
92919,"N	N-Dimethylguanosine",OtherMutliCpd,Compound,CN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,RSPURTUNRHNVGF-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
92972,3891-59-6,OtherMutliCpd,Compound,CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C,UAOKXEHOENRFMP-ZJIFWQFVSA-N,none,none,none,none,none,none,none,none,none,none,none
92997,3b-hydroxy-5-cholenoic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,HIAJCGFYHIANNA-QIZZZRFXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
93040,6-Mhmd-isocoumarin,OtherMutliCpd,Compound,CC1CC2=CC(=CC(=C2C(=O)O1)O)OC,AIFNAMVERSBWPS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,2-benzopyrans,2-benzopyrans,none,none,none,none,none,none
93072,N-carbamoyl-L-aspartate,OtherMutliCpd,Compound,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,HLKXYZVTANABHZ-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
93078,L-Aspartyl-L-phenylalanine,OtherMutliCpd,Compound,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N,YZQCXOFQZKCETR-UWVGGRQHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
93117,Conen,OtherMutliCpd,Compound,CCCCOP(=O)(SCC)SCC1=CC=CC=C1,WRIYPTGFYKBSFU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
93184,Carindacillin,Drug,Compound,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)O)C,JIRBAUWICKGBFE-MNRDOXJOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
93189,"2	5-Diisopropylphenol",OtherMutliCpd,Compound,CC(C)C1=CC(=C(C=C1)C(C)C)O,VFNUNYPYULIJSN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
93199,Myrac aldehyde,OtherMutliCpd,Compound,CC(=CCCC1=CCC(CC1)C=O)C,MQBIZQLCHSZBOI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
93556,Dihydrothymine,OtherMutliCpd,Compound,CC1CNC(=O)NC1=O,NBAKTGXDIBVZOO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Hydropyrimidines,none,none,none,none,none,none
93781,4-(ethoxymethyl)phenol,OtherMutliCpd,Compound,CCOCC1=CC=C(C=C1)O,UWQZVUQKBWZNLN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
93838,6-Acetoxydihydrotheaspirane,OtherMutliCpd,Compound,CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C,LTAWGWRPOGXHBD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
93844,2-Methyl-3-(o-tolyl)propionaldehyde,OtherMutliCpd,Compound,CC1=CC=CC=C1CC(C)C=O,PFTIYHYMOUKOHA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
93860,Pyz-Phe-boroLeu,Drug,Compound,B([C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O,GXJABQQUPOEUTA-NVXWUHKLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
94050,"1-phenylicosane-1	3-dione",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,LRQGFQDEQPZDQC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
94141,382-44-5,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O,WSCUHXPGYUMQEX-KCZNZURUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
94143,alpha-cyclociral,OtherMutliCpd,Compound,CC1=CCCC(C1C=O)(C)C,ZVZRJSHOOULAGB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
94174,"(1aR	4S	4aS	7R	7aS)-1	1	4	7-tetramethyl-2	3	4a	5	6	7	7a	7b-octahydro-1aH-cyclopropa[e]azulen-4-ol",OtherMutliCpd,Compound,C[C@@H]1CC[C@H]2[C@@H]1C3[C@H](C3(C)C)CC[C@]2(C)O,AYXPYQRXGNDJFU-OMDCQRFSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
94180,2-Hydroxyoctanoic acid,OtherMutliCpd,Compound,CCCCCCC(C(=O)O)O,JKRDADVRIYVCCY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
94190,816-94-4,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,NRJAVPSFFCBXDT-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
94216,3-Hydroxydodecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCC(CC(=O)O)O,MUCMKTPAZLSKTL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
94217,"p-Menth-8-ene-1	2-diol",OtherMutliCpd,Compound,CC(=C)C1CCC(C(C1)O)(C)O,WKZWTZTZWGWEGE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
94221,(-)-trans-Carveol,OtherMutliCpd,Compound,CC1=CC[C@H](C[C@@H]1O)C(=C)C,BAVONGHXFVOKBV-ZJUUUORDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
94228,Isoallolithocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,SMEROWZSTRWXGI-XBESLWPFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
94235,"3	7-Dihydroxy-12-oxocholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,MIHNUBCEFJLAGN-DMMBONCOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
94312,"5	6-Dihydrouridine",OtherMutliCpd,Compound,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,ZPTBLXKRQACLCR-XVFCMESISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
94318,(S)-3-Hydroxybutyric acid,OtherMutliCpd,Compound,C[C@@H](CC(=O)O)O,WHBMMWSBFZVSSR-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
94340,gamma-Glutamyltyrosine,OtherMutliCpd,Compound,C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,VVLXCWVSSLFQDS-QWRGUYRKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
94378,Paradol,OtherMutliCpd,Compound,CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC,CZNLTCTYLMYLHL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Paradols,none,none,none,none,none,none
94411,2-amino-n-isopropylbenzamide,OtherMutliCpd,Compound,CC(C)NC(=O)C1=CC=CC=C1N,FWQYJOPJMIEKHZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Anthranilamides,none,none,none,none,none
94448,Panose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O,ZCLAHGAZPPEVDX-MQHGYYCBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
94577,Cepharadione A,OtherMutliCpd,Compound,CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O,RZIGKFTVXWUUCX-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
95070,N-Stearoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O,UEYROBDNFIWNST-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
95086,Dehydrodivanillin,OtherMutliCpd,Compound,COC1=C(C(=CC(=C1)C=O)C2=CC(=CC(=C2O)OC)C=O)O,NSTQUZVZBUTVPY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
95170,5436-43-1,OtherMutliCpd,Compound,C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br,XYBSIYMGXVUVGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Bromodiphenyl ethers,none,none,none,none,none,none
95174,4-Amino-dl-phenylalanine,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)O)N)N,CMUHFUGDYMFHEI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
95223,10-nitrosophenanthren-9-ol,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=O)O,HMJPSXRANHDJOF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
95376,2-(4-methylphenyl)propan-1-ol,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)CO,CLFDIFDNDWRHJF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
95385,Dibutyl malate,OtherMutliCpd,Compound,CCCCOC(=O)CC(C(=O)OCCCC)O,PDSCSYLDRHAHOX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
95433,2-Hydroxy-2-methylbutyric acid,OtherMutliCpd,Compound,CCC(C)(C(=O)O)O,MBIQENSCDNJOIY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
95457,N-(2-Hydroxyethyl)lactamide,OtherMutliCpd,Compound,CC(C(=O)NCCO)O,RZCHTMXTKQHYDT-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
95495,"6	10-Dimethyl-2-undecanone",OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(=O)C,RBGLEUBCAJNCTR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
95562,2-Amino-5-hydroxypentanoic acid,OtherMutliCpd,Compound,C(CC(C(=O)O)N)CO,CZWARROQQFCFJB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
95594,41496-43-9,OtherMutliCpd,Compound,CC1=CC=C(C=C1)CC(C)C=O,SGVBCLGVIOFAFT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
95664,N-Benzoylaspartic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O,DJLTZJGULPLVOA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
95793,n-(9-oxo-9h-fluoren-3-yl)acetamide,OtherMutliCpd,Compound,CC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C32,DREYCDVKXGSLCN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Fluorenes,none,Fluorenes,none,none,none,none,none,none
95978,Pentyl isovalerate,OtherMutliCpd,Compound,CCCCCOC(=O)CC(C)C,QURFFFCYNQXLCU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
96118,Scutellarein tetramethyl ether,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC,URSUMOWUGDXZHU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
96338,"2-Chloro-N-(2	6-diethylphenyl)acetamide",OtherMutliCpd,Compound,CCC1=C(C(=CC=C1)CC)NC(=O)CCl,LBJVHMAYBNQJBK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Anilides,none,none,none,none,none,none
96373,1-Methylguanosine,OtherMutliCpd,Compound,CN1C(=O)C2=C(N=C1N)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,UTAIYTHAJQNQDW-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
96388,36284-95-4,OtherMutliCpd,Compound,CNCC1=CNC2=CC=CC=C21,BIFJNBXQXNWYOL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
96407,4-Methyleneglutamic acid,OtherMutliCpd,Compound,C=C(CC(C(=O)O)N)C(=O)O,RCCMXKJGURLWPB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
96539,Gardenin B,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC,LXEVSYZNYDZSOB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
96817,Gly-Leu-Tyr,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CN,AFWYPMDMDYCKMD-KBPBESRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
96918,Atherosperminine,OtherMutliCpd,Compound,CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC,UZZFAUDNCIFFPM-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,6--6a-secoaporphines,none,6--6a-secoaporphines,none,none,none,none,none,none
96932,Xanthaline,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC,QJTBIAMBPGGIGI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
96942,Murrayanine,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)C=O)C3=CC=CC=C3N2,FWNZQNAJETXQPP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
96943,Girinimbine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=CC=CC=C4N3)C=CC(O2)(C)C,GAEQWKVGMHUUKO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
97134,35873-43-9,OtherMutliCpd,Compound,CCCCCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C,IDRUVEWEPXUION-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
97214,Eupatorin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O,KLAOKWJLUQKWIF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
97217,3'-O-Methylguanosine,OtherMutliCpd,Compound,CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2NC(=NC3=O)N)CO,UYARPHAXAJAZLU-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
97328,4033-39-0,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)N,PECYZEOJVXMISF-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
97472,4-Hydroxybenzylamine,OtherMutliCpd,Compound,C1=CC(=CC=C1CN)O,RQJDUEKERVZLLU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
97479,4-Methylhippuric acid,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(=O)NCC(=O)O,NRSCPTLHWVWLLH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
97487,Koenimbine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=C(N3)C=CC(=C4)OC)C=CC(O2)(C)C,OSERHKINMDLESD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
97552,1-phenethyl-3-phenylurea,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCNC(=O)NC2=CC=CC=C2,IAJCQLOENFFYTI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,N-phenylureas,N-phenylureas,none,none,none,none,none,none
97622,Oxoxylopine,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3=C4C(=CC5=C3OCO5)C=CN=C4C2=O,WLXLLQQGGGHOMA-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
97662,Oxoglaucine,OtherMutliCpd,Compound,COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC,ZYKCETVKVRJFGD-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
97663,"L-Asparagine	 N-hydroxy-",OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)C(=O)NO,ZBYVTTSIVDYQSO-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
97679,Norsanguinarine,OtherMutliCpd,Compound,C1OC2=C(O1)C3=CN=C4C(=C3C=C2)C=CC5=CC6=C(C=C54)OCO6,CNXVDVMAYXLWPD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Phenanthridines and derivatives,none,none,none,none,none,none
97747,"2(3H)-Furanone	 5-dodecyldihydro-",OtherMutliCpd,Compound,CCCCCCCCCCCCC1CCC(=O)O1,SRIFJCOBFTWCTM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
97750,759-65-9,OtherMutliCpd,Compound,CCOC(=O)C(C)C(=O)C(=O)OCC,OQOCQBJWOCRPQY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
97804,"1	1	1-Trifluorooctan-2-ol",OtherMutliCpd,Compound,CCCCCCC(C(F)(F)F)O,INAIBHXNHIEDAM-UHFFFAOYSA-N,Organic compounds,Organohalogen compounds,Halohydrins,Fluorohydrins,Fluorohydrins,none,none,none,none,none,none
97807,SAFROLGLYCOL,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)CC(CO)O,FYDVPEVHFUBOJG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
97895,1-Ethoxyethyl acetate,OtherMutliCpd,Compound,CCOC(C)OC(=O)C,FAIARWOGQAQTPS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
97897,Bornyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC1CC2CCC1(C2(C)C)C,VIPNQHBVIDJXJE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
98009,2-Hydroxypentanoic acid,OtherMutliCpd,Compound,CCCC(C(=O)O)O,JRHWHSJDIILJAT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
98037,"1	2-Hexadecanediol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(CO)O,BTOOAFQCTJZDRC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
98206,Prolylglycine,OtherMutliCpd,Compound,C1CC(NC1)C(=O)NCC(=O)O,RNKSNIBMTUYWSH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
98223,Selenocystathionine,OtherMutliCpd,Compound,C(C[Se]CC(C(=O)O)N)C(C(=O)O)N,ZNWYDQPOUQRDLY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
98280,2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid,OtherMutliCpd,Compound,C=CCSCC(C(=O)O)N,ZFAHNWWNDFHPOH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
98285,6052-68-2,OtherMutliCpd,Compound,C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O,FSNCEEGOMTYXKY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
98323,3-methyldihydrofuran-2(3H)-one,OtherMutliCpd,Compound,CC1CCOC1=O,QGLBZNZGBLRJGS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
98356,Marindinin,OtherMutliCpd,Compound,COC1=CC(=O)OC(C1)CCC2=CC=CC=C2,VOOYTQRREPYRIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
98439,CTK8D4841,OtherMutliCpd,Compound,CC(=CNCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)F,GEHCVNRTMXFICS-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
98451,3-Methylbutyrolactone,OtherMutliCpd,Compound,CC1CC(=O)OC1,ALZLTHLQMAFAPA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
98461,"2-Isopropyl-4-methyl-1	3-dioxolane",OtherMutliCpd,Compound,CC1COC(O1)C(C)C,NWXXKKDLGZLEGH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxolanes,1--3-dioxolanes,1--3-dioxolanes,none,none,none,none,none,none
98492,Amyl phenylacetate,OtherMutliCpd,Compound,CCCCCOC(=O)CC1=CC=CC=C1,LRVLBFSVAFUOGO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
98497,Campholenic aldehyde,OtherMutliCpd,Compound,CC1=CCC(C1(C)C)CC=O,OGCGGWYLHSJRFY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
98521,4-Chlorodehydromethyltestosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(=O)C=C[C@]34C)Cl,AGUNEISBPXQOPA-XMUHMHRVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
98570,Allocryptopine,OtherMutliCpd,Compound,CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3,HYBRYAPKQCZIAE-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Protopine alkaloids,none,Protopine alkaloids,none,none,none,none,none,none
98608,Phellopterin,OtherMutliCpd,Compound,CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C,BMLZFLQMBMYVHG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
98681,N-Propionylglycine,OtherMutliCpd,Compound,CCC(=O)NCC(=O)O,WOMAZEJKVZLLFE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
98792,Dihydrofolic acid,OtherMutliCpd,Compound,C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,OZRNSSUDZOLUSN-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
98958,AC1L40JO,OtherMutliCpd,Compound,CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C,FKBUODICGDOIGB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
98975,Ethyl 2-acetylnonanoate,OtherMutliCpd,Compound,CCCCCCCC(C(=O)C)C(=O)OCC,QPFZUKLNMHJNCE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
99223,3-Methylhippuric acid,OtherMutliCpd,Compound,CC1=CC=CC(=C1)C(=O)NCC(=O)O,YKAKNMHEIJUKEX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
99288,L-allo-Isoleucine,OtherMutliCpd,Compound,CC[C@@H](C)[C@@H](C(=O)O)N,AGPKZVBTJJNPAG-UHNVWZDZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Isoleucine and derivatives,none,none,none,none
99289,L-allo-threonine,OtherMutliCpd,Compound,C[C@@H]([C@@H](C(=O)O)N)O,AYFVYJQAPQTCCC-HRFVKAFMSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
99298,ISODIOSPYRIN,OtherMutliCpd,Compound,CC1=CC(=C2C(=O)C=CC(=O)C2=C1C3=C(C=C4C(=O)C=CC(=O)C4=C3O)C)O,OEEOHKZVBKYMBA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
99463,Hexanoylglycine,OtherMutliCpd,Compound,CCCCCC(=O)NCC(=O)O,UPCKIPHSXMXJOX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
99478,O-acetyl-L-serine,OtherMutliCpd,Compound,CC(=O)OC[C@@H](C(=O)O)N,VZXPDPZARILFQX-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
99479,"2	2	5	7	8-Pentamethyl-6-chromanol",OtherMutliCpd,Compound,CC1=C(C(=C2CCC(OC2=C1C)(C)C)C)O,SEBPXHSZHLFWRL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
99486,Cholesterol Myristate,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,SJDMTGSQPOFVLR-ZPQCIJQQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
99512,Epismilagenin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)O)C)C)C)OC1,GMBQZIIUCVWOCD-SGKIHABASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
99516,Tigogenin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,GMBQZIIUCVWOCD-MFRNJXNGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
99715,4033-40-3,OtherMutliCpd,Compound,CC(=O)N[C@@H](CC(=O)N)C(=O)O,HXFOXFJUNFFYMO-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Asparagine and derivatives,none,none,none,none
99771,Brevianamide A,OtherMutliCpd,Compound,CC1(C2CC34CCCN3C(=O)C2(CC15C(=O)C6=CC=CC=C6N5)NC4=O)C,MWOFPQAPILIIPR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azaspirodecane derivatives,none,Azaspirodecane derivatives,none,none,none,none,none,none
99823,2-Hydroxy-3-methylbutyric acid,OtherMutliCpd,Compound,CC(C)C(C(=O)O)O,NGEWQZIDQIYUNV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
99824,2-Hydroxyhexanoic acid,OtherMutliCpd,Compound,CCCCC(C(=O)O)O,NYHNVHGFPZAZGA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
99899,Ipomeamarone,OtherMutliCpd,Compound,CC(C)CC(=O)CC1(CCC(O1)C2=COC=C2)C,WOFDWNOSFDVCDF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
99938,Wikstromol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O,ZITBJWXLODLDRH-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
99957,66584-72-3,OtherMutliCpd,Compound,CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O,OPQNCARIZFLNLF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,none,Macrolactams,none,none,none,none,none,none
99973,Castalin,OtherMutliCpd,Compound,C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O,PPUHUWSVCUJGTD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
100018,Ginsenoside Rc,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C,JDCPEKQWFDWQLI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
100021,Diosbulbin D,OtherMutliCpd,Compound,CC12CC(OC(=O)C1CC(=O)C3C2CC4CC3C(=O)O4)C5=COC=C5,FJCWYLRNGKSUCH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
100026,DESOXYLIMONIN,OtherMutliCpd,Compound,CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C,QUTATOGBENCRSS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Steroid lactones,none,none,none,none,none,none
100067,DL-Syringaresinol,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC,KOWMJRJXZMEZLD-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
100089,Benzylidene glucose,OtherMutliCpd,Compound,C1C2C(C(C(C(O2)O)O)O)OC(O1)C3=CC=CC=C3,FOLRUCXBTYDAQK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyranodioxins,none,Pyranodioxins,none,none,none,none,none,none
100098,Glutamylalanine,OtherMutliCpd,Compound,CC(C(=O)O)NC(=O)C(CCC(=O)O)N,JZDHUJAFXGNDSB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
100138,gamma-Ghb,OtherMutliCpd,Compound,C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)O,LOTUEIYQWILGCV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
100215,GLECHOMAFURAN,OtherMutliCpd,Compound,CC1=COC2=C1CC3C(O3)(CCC4C(C2)(O4)C)C,FNQFNSGVMLMZNV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
100313,Malabaricone C,OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O,HCOZRFYGIFMIEX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
100321,N-Acryloylglycine,OtherMutliCpd,Compound,C=CC(=O)NCC(=O)O,LZCXCXDOGAEFQX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
100413,4-Chloroindole-3-acetic acid,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)Cl)C(=CN2)CC(=O)O,WNCFBCKZRJDRKZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
100450,MS 3,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)CO)CO)O)CC=C(C)C)O)O,WTZUCTQSBSDSRG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
100689,"1-(furan-3-yl)pentane-1	4-dione",OtherMutliCpd,Compound,CC(=O)CCC(=O)C1=COC=C1,VUENWDJSJYJARL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
100714,Aminomalonic acid,OtherMutliCpd,Compound,C(C(=O)O)(C(=O)O)N,JINBYESILADKFW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
100751,Dehydroneotenone,OtherMutliCpd,Compound,COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=C5C=COC5=C4)OCO2,HTTTWVGBBAOUEM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
100900,5-(1-hydroxyethyl)oxolan-2-one,OtherMutliCpd,Compound,CC(C1CCC(=O)O1)O,KBLZKAKKJPDYKJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
101115,"2	6	6-trimethyl-2-hydroxycyclohexanone",OtherMutliCpd,Compound,CC1(CCCC(C1=O)(C)O)C,FWCGLHYHGUHPRY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Acyloins,none,none,none,none,none,none
101122,2-Aminoheptanedioic acid,OtherMutliCpd,Compound,C(CCC(=O)O)CC(C(=O)O)N,JUQLUIFNNFIIKC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
101150,1423-46-7,OtherMutliCpd,Compound,CC1CC(=CC(C1C=O)C)C,YJSUCBQWLKRPDL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
101257,(+)-Tirucallol,OtherMutliCpd,Compound,C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,CAHGCLMLTWQZNJ-HGKXYCPESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
101277,Pachyrrhizin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1C3=CC4=C(C=C5C(=C4)C=CO5)OC3=O)OCO2,PENSQRMNZZWMGV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-3-enes,Isoflav-3-enones,none,none,none,none,none,none
101365,Ethyl 2-(methylamino)benzoate,OtherMutliCpd,Compound,CCOC(=O)C1=CC=CC=C1NC,WBSWYVBUGLBCOV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
101399,2-(Formylamino)benzoic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)NC=O,LLLPDUXGHXIXIW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
101526,Moxifloxacin hydrochloride,Drug,Compound,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl,IDIIJJHBXUESQI-DFIJPDEKSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
101536,Ethyl 2-hydroxy-2-methylbutanoate,OtherMutliCpd,Compound,CCC(C)(C(=O)OCC)O,KIYWRWLZHQZKKD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
101560,"oxydipropane-1	2-diyl dibenzoate",OtherMutliCpd,Compound,CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2,IZYUWBATGXUSIK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
101609,2'-uridylic acid,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,HQIDPEYTETUCNF-XVFCMESISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
101612,l-asarinin,OtherMutliCpd,Compound,C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6,PEYUIKBAABKQKQ-WZBLMQSHSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
101680,Camphene hydrate,OtherMutliCpd,Compound,CC1(C2CCC(C2)C1(C)O)C,PXRCIOIWVGAZEP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
101688,Kryptogenin,OtherMutliCpd,Compound,CC(CCC(=O)C(C)C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)CO,GDKGOXUWEBGZBY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
101711,GNF-PF-4292,OtherMutliCpd,Compound,CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O,WFJNHVWTKZUUTR-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
101716,Globulol,OtherMutliCpd,Compound,CC1CCC2C1C3C(C3(C)C)CCC2(C)O,AYXPYQRXGNDJFU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
101734,AC1L2RFT,OtherMutliCpd,Compound,CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C,ZKQRGSXITBHHPC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
101744,CINCHONIDINE,OtherMutliCpd,Compound,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O,KMPWYEUPVWOPIM-KODHJQJWSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
101748,"heptane-1	2	3	4	5	6	7-heptol",OtherMutliCpd,Compound,C(C(C(C(C(C(CO)O)O)O)O)O)O,OXQKEKGBFMQTML-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
101770,Zymostenol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,QETLKNDKQOXZRP-XTGBIJOFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
101771,Tetrahydrodeoxycorticosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,CYKYBWRSLLXBOW-GDYGHMJCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
101790,Allotetrahydrocorticosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O,RHQQHZQUAMFINJ-NZTKVECHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
101850,11-Ketoetiocholanolone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)O,IUNYGQONJQTULL-UKZLPJRTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
101977,D-Citronellol,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)CCO,QMVPMAAFGQKVCJ-SNVBAGLBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
101989,Androstenol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C,KRVXMNNRSSQZJP-PHFHYRSDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
102030,16-Hydroxydehydroepiandrosterone,OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)O,QQIVKFZWLZJXJT-DNKQKWOHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
102146,Bolasterone,OtherMutliCpd,Compound,C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C,IVFYLRMMHVYGJH-VLOLGRDOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
102175,N6-Methyladenosine,OtherMutliCpd,Compound,CNC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,VQAYFKKCNSOZKM-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
102182,Cholesterol laurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,RMLFYKFCGMSLTB-ZBDFTZOCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
102430,2-Hydroxytetracosanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O,MSUOLNSQHLHDAS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
102461,4-Epiabietol,OtherMutliCpd,Compound,CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)CO,GQRUHVMVWNKUFW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
102515,2-Methylhexanal,OtherMutliCpd,Compound,CCCCC(C)C=O,BHVGMUDWABJNRC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
102526,2-(4-hydroxyphenyl)propanoic acid,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)O)C(=O)O,ZHMMPVANGNPCBW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
102550,Lavender lactone,OtherMutliCpd,Compound,CC1(CCC(=O)O1)C=C,QESPSAHXYXIGBG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
102615,Distearin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,UHUSDOQQWJGJQS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
102648,2-methoxy-4-methyl-1-(propan-2-yl)cyclohexane,OtherMutliCpd,Compound,CC1CCC(C(C1)OC)C(C)C,JDGJLPHFRJNJMN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
102667,Pinocarveol,OtherMutliCpd,Compound,CC1(C2CC1C(=C)C(C2)O)C,LCYXQUJDODZYIJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
102684,Photocitral A,OtherMutliCpd,Compound,CC1CCC(C1C=O)C(=C)C,JCDLXWAYWSJVTP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
102820,Iso-Butyl-2-Methylbutyrate,OtherMutliCpd,Compound,CCC(C)C(=O)OCC(C)C,NWZQCEQAPBRMFX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
102861,24851-98-7,OtherMutliCpd,Compound,CCCCCC1C(CCC1=O)CC(=O)OC,KVWWIYGFBYDJQC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Jasmonic acids,none,none,none,none,none,none
102892,Cyclo(leucyloprolyl),OtherMutliCpd,Compound,CC(C)CC1C(=O)N2CCCC2C(=O)N1,SZJNCZMRZAUNQT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
102916,Ethyl 2-ethylhexanoate,OtherMutliCpd,Compound,CCCCC(CC)C(=O)OCC,YXAGIRHBJJLWHW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
102926,D-manno-Heptulose,OtherMutliCpd,Compound,C(C(C(C(C(C(=O)CO)O)O)O)O)O,HSNZZMHEPUFJNZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Heptoses,none,none,none,none,none
102959,mHPHA,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C(CC(=O)O)O,KHTAGVZHYUZYMF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
102967,"2	4	5-Trimethyl-1	3-dioxolane",OtherMutliCpd,Compound,CC1C(OC(O1)C)C,HLEXJAVJCZLRTH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxolanes,1--3-dioxolanes,1--3-dioxolanes,none,none,none,none,none,none
102993,"2	4-Dimethyl-1	3-dioxolane",OtherMutliCpd,Compound,CC1COC(O1)C,ROSFUFIOLRQOON-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxolanes,1--3-dioxolanes,1--3-dioxolanes,none,none,none,none,none,none
103005,3407-42-9,OtherMutliCpd,Compound,CC1C2CC(C1(C)C)CC2C3CCCC(C3)O,BWVZAZPLUTUBKD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
103019,AC1L2U2M,OtherMutliCpd,Compound,CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C,AMSCMASJCYVAIF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
103739,53109-18-5,OtherMutliCpd,Compound,CCC(C)C1CC(C(=C1)C(CC(=O)CC(=O)O)O)C(C)CC,MQETZQLZTJUQHR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
103788,3-Methylthio-2-butanone,OtherMutliCpd,Compound,CC(C(=O)C)SC,HFVLNCDRAMUMCC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
103814,53643-07-5,OtherMutliCpd,Compound,CC1CC(C=C2C1(CC(CC2)C(=C)C)C)O,GFNWRKNVTHDNPV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
103993,"3'	5'-Dihydroxyacetophenone",OtherMutliCpd,Compound,CC(=O)C1=CC(=CC(=C1)O)O,WQXWIKCZNIGMAP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
104739,95896-78-9,OtherMutliCpd,Compound,CC1=CC2=NC=C(N=C2C3=C1N(C(=N3)N)C)C,LAZSIJHHPMHKQI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
104741,Fulvestrant,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F,VWUXBMIQPBEWFH-WCCTWKNTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
104756,"2	3-Epoxyaflatoxin B1",OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@@H]6[C@@H](O6)O[C@@H]5OC4=C1,KHBXRZGALJGBPA-IRWJRLHMSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
104758,Raltitrexed,Drug,Compound,CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,IVTVGDXNLFLDRM-HNNXBMFYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
104820,Arsenocholine,OtherMutliCpd,Compound,C[As+](C)(C)CCO,ORLOBEXOFQEWFQ-UHFFFAOYSA-N,Organic compounds,Organometallic compounds,Organometalloid compounds,Organoarsenic compounds,Oxygen-containing organoarsenic compounds,none,none,none,none,none,none
104858,S-nitrosoglutathione,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,HYHSBSXUHZOYLX-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
105021,"Fructose-2	6-diphosphate",OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,YXWOAJXNVLXPMU-ZXXMMSQZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
105041,108354-47-8,OtherMutliCpd,Compound,CN1C2=C(C3=NC=CN=C3C=C2)N=C1N,HKZZYGFWIFKKIR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
105068,Pyridinoline,OtherMutliCpd,Compound,C1=C(C(=C(C=[N+]1C[C@@H](CC[C@@H](C(=O)[O-])N)O)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N,LCYXYLLJXMAEMT-SAXRGWBVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
105095,Aflatoxin G2A,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CC(OC5OC4=C1)O,PHYKMMVEUJESOM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarolactones,none,none,none,none
105097,2-Amino-5-phenylpyridine,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CN=C(C=C2)N,OAPVIBHQRYFYSE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
105349,ethyl hydrogen carbonate,OtherMutliCpd,Compound,CCOC(=O)O,CQDGTJPVBWZJAZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,Carbonic acid monoesters,Carbonic acid monoesters,none,none,none,none,none,none
106217,2-(Methyldithio)isobutyraldehyde,OtherMutliCpd,Compound,CC(C)(C=O)SSC,VLBWEJJOETYCSE-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Organic disulfides,Dialkyldisulfides,Dialkyldisulfides,none,none,none,none,none,none
106756,5-Hexyl-4-methyldihydrofuran-2(3H)-one,OtherMutliCpd,Compound,CCCCCCC1C(CC(=O)O1)C,XNRLAEXLQFIKEY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
106791,67785-70-0,OtherMutliCpd,Compound,CC1CCC(C2(C1)OCC(CO2)O)C(C)C,GECFTYLLVUKXOY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
106997,2-Ethylfenchol,OtherMutliCpd,Compound,CCC1(C(C2CCC1(C2)C)(C)C)O,KIPCKEJKGCXRGA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
107126,Dihydrojasmonic acid,OtherMutliCpd,Compound,CCCCCC1C(CCC1=O)CC(=O)O,PQEYTAGBXNEUQL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Jasmonic acids,none,none,none,none,none,none
107166,3738-00-9,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC3(C2CCO3)C)C)C,YPZUZOLGGMJZJO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
107175,2-Hydroxymenthol,OtherMutliCpd,Compound,CC1CCC(C(C1O)O)C(C)C,WQFGPARDTSBVLU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
107202,2-methoxy-2-phenylacetic acid,OtherMutliCpd,Compound,COC(C1=CC=CC=C1)C(=O)O,DIWVBIXQCNRCFE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
107217,Fenchyl acetate,OtherMutliCpd,Compound,CC(=O)OC1C(C2CCC1(C2)C)(C)C,JUWUWIGZUVEFQB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
107297,"3-methylpiperazine-2	5-dione",OtherMutliCpd,Compound,CC1C(=O)NCC(=O)N1,ICCHEGCKVBMSTF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
107324,"2	4	4-Trimethylcyclopentanone",OtherMutliCpd,Compound,CC1CC(CC1=O)(C)C,OXTQEWUBDTVSFB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
107381,"2	4	6-Trimethyl-4-phenyl-1	3-dioxane",OtherMutliCpd,Compound,CC1CC(OC(O1)C)(C)C2=CC=CC=C2,IEZPIUQRQRWIFE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxanes,1--3-dioxanes,1--3-dioxanes,none,none,none,none,none,none
107647,Fluorocitrate,OtherMutliCpd,Compound,C(C(=O)O)C(C(C(=O)O)F)(C(=O)O)O,DGXLYHAWEBCTRU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
107669,4-Hydroxydebrisoquine,OtherMutliCpd,Compound,C1C(C2=CC=CC=C2CN1C(=N)N)O,AKFURXZANOMQBD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
107689,L-Lactic acid,OtherMutliCpd,Compound,C[C@@H](C(=O)O)O,JVTAAEKCZFNVCJ-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,none,none,none,none,none,none
107712,DL-Homocysteine thiolactone,OtherMutliCpd,Compound,C1CSC(=O)C1N,KIWQWJKWBHZMDT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
107738,Propionylcarnitine,OtherMutliCpd,Compound,CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,UFAHZIUFPNSHSL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
107777,Fusarochromanone,OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)N)C,COSICWYFCAPPJB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
107802,3-Hydroxypentanoic acid,OtherMutliCpd,Compound,CCC(CC(=O)O)O,REKYPYSUBKSCAT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
107807,PERINDOPRIL,Drug,Compound,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,IPVQLZZIHOAWMC-QXKUPLGCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
107835,"3a	7a-Dihydroxy-5b-cholestanate",OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(CCO)O)C,ABBVGECYEGYVPY-CEGNMAFCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
107838,Tryptoline,OtherMutliCpd,Compound,C1CNCC2=C1C3=CC=CC=C3N2,CFTOTSJVQRFXOF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
107905,(-)-Epicatechin gallate,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,LSHVYAFMTMFKBA-TZIWHRDSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
107936,gamma-Fagarine,OtherMutliCpd,Compound,COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3,KFBCTNNQFGONHB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Furanoquinolines,Furanoquinolines,none,none,none,none,none,none
107971,Daidzin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,KYQZWONCHDNPDP-QNDFHXLGSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
107978,3-Amino-N-(carboxycarbonyl)alanine,OtherMutliCpd,Compound,C(C(C(=O)O)NC(=O)C(=O)O)N,FNXJKVNOUQAQMB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
107982,Dihydrocapsaicin,OtherMutliCpd,Compound,CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,XJQPQKLURWNAAH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
107985,triptolide,OtherMutliCpd,Compound,CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C,DFBIRQPKNDILPW-CIVMWXNOSA-N,Organic compounds,Organoheterocyclic compounds,Oxepanes,none,Oxepanes,none,none,none,none,none,none
108062,Asiaticoside,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O,WYQVAPGDARQUBT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
108063,"Naphthalene-1	2-oxide",OtherMutliCpd,Compound,C1=CC=C2C3C(O3)C=CC2=C1,XQIJIALOJPIKGX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
108104,Sphondin,OtherMutliCpd,Compound,COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2,DLCJNIBLOSKIQW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
108105,Hypoglycine B,OtherMutliCpd,Compound,C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N,UYDZYCPIQSRXKU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
108130,Schisandrin B,OtherMutliCpd,Compound,CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3,RTZKSTLPRTWFEV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
108192,Testosterone glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C,NIKZPECGCSUSBV-HMAFJQTKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
108214,AFMU,OtherMutliCpd,Compound,CC(=O)NC1=C(NC(=O)N(C1=O)C)NC=O,RDZNZFGKEVDNPK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Hydroxypyrimidines,none,none,none,none,none,none
108261,54783-36-7,OtherMutliCpd,Compound,CC1CCC(=C(C1=O)O)C(C)C,POVACFJTDXZOQT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
108355,Isocitral,OtherMutliCpd,Compound,CC(=CCC=C(C)CC=O)C,OJLMARCQPSGYNE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
108712,"1	9-Dimethyluric acid",OtherMutliCpd,Compound,CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O,UARKDOLETOEBCU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
108714,9-Methyluric acid,OtherMutliCpd,Compound,CN1C2=C(C(=O)NC(=O)N2)NC1=O,XJEJWDFDVPDMAS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
108764,55764-22-2,OtherMutliCpd,Compound,CC1=CC(=C(O1)C)SC(=O)C,LULNJORVPBVGRB-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
108765,2-Methylfuran-3-thiol acetate,OtherMutliCpd,Compound,CC1=C(C=CO1)SC(=O)C,PQFIBPDAGFGLBY-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
109455,"2-Methoxy-4-(4-methyl-1	3-dioxolan-2-yl)phenol",OtherMutliCpd,Compound,CC1COC(O1)C2=CC(=C(C=C2)O)OC,RFGCVZIIIHRESZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
109457,"2-Ethoxy-4-(4-methyl-1	3-dioxolan-2-yl)phenol",OtherMutliCpd,Compound,CCOC1=C(C=CC(=C1)C2OCC(O2)C)O,IFUIILQWHYHIEK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
109467,Citronellyl anthranilate,OtherMutliCpd,Compound,CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1N,LSJVFMHIFWWGDY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
110241,"2-dodecylbenzenesulfonic acid- 1	1'	1''	1'''-(ethane-1	2-diyldinitrilo)tetrapropan-2-ol(1:1)",OtherMutliCpd,Compound,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O,NCLJPVKSNDOSIK-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
110392,"2	9-dimethyldecan-5-one",OtherMutliCpd,Compound,CC(C)CCCC(=O)CCC(C)C,DCKZDPOUHNXIBI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
110635,Tadalafil,Drug,Compound,CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36,WOXKDUGGOYFFRN-IIBYNOLFSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
110677,5581-31-7,OtherMutliCpd,Compound,CC1(CCC(CC1O)C(C)(CO)O)O,QEFNQQRVZDFDIJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
110690,"1	3-Diphenylpropylamine",OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(C2=CC=CC=C2)N,ABMVTYGGTMHHTN-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
110745,Palustrol,OtherMutliCpd,Compound,CC1CCC2(C1C3C(C3(C)C)CCC2C)O,QWRTXOOFEHOROQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
110747,"3	7-Dimethyloctanal",OtherMutliCpd,Compound,CC(C)CCCC(C)CC=O,UCSIFMPORANABL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
110801,BORNYL VALERATE,OtherMutliCpd,Compound,CCCCC(=O)OC1CC2CCC1(C2(C)C)C,ILUAVCBOWYHFAI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
110923,3-(4-methylcyclohex-3-en-1-yl)butanal,OtherMutliCpd,Compound,CC1=CCC(CC1)C(C)CC=O,VJYFMQREUJXCQV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
110975,Ethyl 3-hydroxyoctanoate,OtherMutliCpd,Compound,CCCCCC(CC(=O)OCC)O,VGWUJHSTGYCXQQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
111049,lumisterol 3,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C,UCTLRSWJYQTBFZ-XMVWLVNMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
111064,Ribonolactone,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H](C(=O)O1)O)O)O,CUOKHACJLGPRHD-BXXZVTAOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
111274,UNII-R1AUQ945JN,OtherMutliCpd,Compound,CC(=C)[C@@H]1CC[C@@](C=C1)(C)O,MKPMHJQMNACGDI-UWVGGRQHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
111299,H-gamma-glu-phe-oh,OtherMutliCpd,Compound,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N,XHHOHZPNYFQJKL-QWRGUYRKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
111329,Cholesteryl valerate,OtherMutliCpd,Compound,CCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,RWTQCZGAMKTBRV-PTHRTHQKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
112072,ANSERINE,OtherMutliCpd,Compound,CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN,MYYIAHXIVFADCU-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
112111,Liquiritic acid,OtherMutliCpd,Compound,C[C@]12CC[C@@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,MPDGHEJMBKOTSU-IDZWEYSVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
112720,2-aminoethyl Acetate,OtherMutliCpd,Compound,CC(=O)OCCN,HBVZRPAKZOLBPL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
112733,Phenethyl decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCCC1=CC=CC=C1,DDMQLUJPAGWJOB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
113514,RHUBAFURAN,OtherMutliCpd,Compound,CC1CC(CO1)(C)C2=CC=CC=C2,GPMLJOOQCIHFET-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
114422,LU 3-017,OtherMutliCpd,Compound,CN(C)CCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3.Cl,PLEZOOJZXNJFCF-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
114505,Luteoforol,OtherMutliCpd,Compound,C1C(C2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O)O,FSYDWKPCKNCRDI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-4-ols,none,none,none,none,none,none
114627,Neoeriocitrin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,OBKKEZLIABHSGY-DOYQYKRZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
114679,(-)-Mellein,OtherMutliCpd,Compound,C[C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1,KWILGNNWGSNMPA-ZCFIWIBFSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,2-benzopyrans,2-benzopyrans,none,none,none,none,none,none
114683,"5	6-Dihydroxyindole",OtherMutliCpd,Compound,C1=CNC2=CC(=C(C=C21)O)O,SGNZYJXNUURYCH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
114690,Precirol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C(C(CO)O)O,FETSQPAGYOVAQU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
114772,5-Hydroxydopamine,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)CCN,LCAINUZZHIZKKS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,Catecholamines and derivatives,none,none,none,none,none
114833,Androsterone glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,VFUIRAVTUVCQTF-BSOWLZGZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
114835,Selenium methyl cysteine,OtherMutliCpd,Compound,C[Se]CC(C(=O)O)N,XDSSPSLGNGIIHP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
114840,Higenamine,OtherMutliCpd,Compound,C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O,WZRCQWQRFZITDX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
114873,Thromboxane,OtherMutliCpd,Compound,CCCCCCCC[C@@H]1[C@H](CCCO1)CCCCCCC,RZWIIPASKMUIAC-VQTJNVASSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Thromboxanes,none,none,none,none,none,none
114918,Cinnabarinic acid,OtherMutliCpd,Compound,C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)O)N)C(=O)O,FSBKJYLVDRVPTK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Phenoxazines,Phenoxazines,none,none,none,none,none,none
114926,Fapyade,OtherMutliCpd,Compound,C1=NC(=C(C(=N1)N)NC=O)N,MVYUVUOSXNYQLL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Aminopyrimidines and derivatives,none,none,none,none,none,none
114935,Coproporphyrin III,OtherMutliCpd,Compound,CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O,XNBNKCLBGTWWSD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
115015,S-Sulphocysteine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)SS(=O)(=O)O,NOKPBJYHPHHWAN-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,L-cysteine-S-conjugates,S-sulfo-L-cysteines,none,none
115049,Pterosin B,OtherMutliCpd,Compound,C[C@@H]1CC2=CC(=C(C(=C2C1=O)C)CCO)C,SJNCSXMTBXDZQA-SECBINFHSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
115056,Epomediol,OtherMutliCpd,Compound,CC1(C2CC(C(O1)(C(C2)O)C)O)C,JSNQSLSBBZFGBM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
115089,Enterodiol,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO,DWONJCNDULPHLV-HOTGVXAUSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,Dibenzylbutanediol lignans,Dibenzylbutanediol lignans,none,none,none,none,none,none
115116,16alpha-Hydroxyestrone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O,WPOCIZJTELRQMF-QFXBJFAPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
115121,Anisatin,OtherMutliCpd,Compound,C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O,GEVWHIDSUOMVRI-QWNPAUMXSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
115145,Benzoyl glucuronide (Benzoic acid),OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,NLOPFVNXNMEEDI-UNLLLRGISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
115237,Paliperidone,Drug,Compound,CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,PMXMIIMHBWHSKN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridopyrimidines,none,Pyridopyrimidines,none,none,none,none,none,none
115244,stachydrine,OtherMutliCpd,Compound,C[N+]1(CCC[C@H]1C(=O)[O-])C,CMUNUTVVOOHQPW-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
115245,Glycolithocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,XBSQTYHEGZTYJE-OETIFKLTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
115255,Estrone 3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,FJAZVHYPASAQKM-JBAURARKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
115355,Nitisinone,Drug,Compound,C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-],OUBCNLGXQFSTLU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,Benzoylcyclohexane-1--3-diones,none,none
117301,Bisabolol oxide B,OtherMutliCpd,Compound,CC1=CCC(CC1)C2(CCC(O2)C(C)(C)O)C,RKBAYVATPNYHLW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
117335,"2	3-Dihydroxypropyl propionate",OtherMutliCpd,Compound,CCC(=O)OCC(CO)O,AALUCPRYHRPMAG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
117477,Ethyl 4-methylpentanoate,OtherMutliCpd,Compound,CCOC(=O)CCC(C)C,OFQRUTMGVBMTFQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
117811,Glyceryl tritridecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,UDXANBFMQUOKTQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
119033,Prunasin,OtherMutliCpd,Compound,C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,ZKSZEJFBGODIJW-GMDXDWKASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
119034,Asiatic acid,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,JXSVIVRDWWRQRT-UYDOISQJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
119065,polylactosamine,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)O)O)O)O,LAVNEPYDFKGEOD-JVCRWLNRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
119082,Rubroskyrin,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1O)C(=O)C34C(C(CC(=O)C3=C2O)O)C5C(C4C(=O)C6=C(C7=C(C(=C56)O)C(=O)C(=CC7=O)C)O)O)O,YYTIAXCFTFIIPI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
119104,1'-Acetoxychavicol acetate,OtherMutliCpd,Compound,CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C,JAMQIUWGGBSIKZ-ZDUSSCGKSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
119182,Clofarabine,Drug,Compound,C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)Cl,WDDPHFBMKLOVOX-AYQXTPAHSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,Purine 2'-deoxyribonucleosides,Purine 2'-deoxyribonucleosides,none,none,none,none,none,none
119205,Matairesinol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O,MATGKVZWFZHCLI-LSDHHAIUSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
119207,Testosterone sulfate,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@]34C,WAQBISPOEAOCOG-DYKIIFRCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
119219,"3	4-Dihydroxyphenylacetaldehyde",OtherMutliCpd,Compound,C1=CC(=C(C=C1CC=O)O)O,IADQVXRMSNIUEL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
119226,Monochlorotyrosine,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O,ACWBBAGYTKWBCD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
119251,AC1L3OGZ,OtherMutliCpd,Compound,COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)C5CCOC5O4)OC,WSBZDTWHZJNGKQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
119258,Astilbin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O,ZROGCCBNZBKLEL-MPRHSVQHSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
119269,Kievitone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)O)C,MERHMOCEIBOOMA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
119303,Morphiceptin,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N,LSQXZIUREIDSHZ-ZJZGAYNASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
119307,Ginsenoside Rh2,OtherMutliCpd,Compound,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C,CKUVNOCSBYYHIS-IRFFNABBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
119394,Campestanol,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,ARYTXMNEANMLMU-ATEDBJNTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
119396,Rheinanthrone,OtherMutliCpd,Compound,C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O,OZFQHULMMDWMIV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
119399,Dopachrome,OtherMutliCpd,Compound,C1C(NC2=CC(=O)C(=O)C=C21)C(=O)O,VJNCICVKUHKIIV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
119405,"5	6-Dihydroxy-1H-indole-2-carboxylic acid",OtherMutliCpd,Compound,C1=C2C=C(NC2=CC(=C1O)O)C(=O)O,YFTGOBNOJKXZJC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids and derivatives,none,none,none,none,none,none
119406,4837-74-5,OtherMutliCpd,Compound,COC1=CC=CC2=C1C(=CN2)CC#N,DHOVDDVYXBMXDM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
119412,"4	5-Dioxopentanoic acid",OtherMutliCpd,Compound,C(CC(=O)O)C(=O)C=O,YHUFRVYVNKGICT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
119490,Ethiofencarb-sulfone,OtherMutliCpd,Compound,CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC,IOPTXXRNXCPJGO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenyl methylcarbamates,Phenyl methylcarbamates,none,none,none,none,none,none
119494,"3-Carboxymethyl-6-benzyl-2	5-diketopiperazine",OtherMutliCpd,Compound,C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC(=O)O,VNHJXYUDIBQDDX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
119547,Poly-N-acetyllactosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O,HESSGHHCXGBPAJ-ZBELOFFLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
119586,Coriandrin,OtherMutliCpd,Compound,CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC,BUZQIMYNOWPYHH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isocoumarins and derivatives,none,Isocoumarins and derivatives,none,none,none,none,none,none
119593,Pentosidine,OtherMutliCpd,Compound,C1=CN(C2=NC(=NC2=C1)NCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N,AYEKKSTZQYEZPU-RYUDHWBXSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
119607,Valdecoxib,Drug,Compound,CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N,LNPDTQAFDNKSHK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
119709,Isopentyl p-anisate,OtherMutliCpd,Compound,CC(C)CCOC(=O)C1=CC=C(C=C1)OC,FVMBSMBXEVMMGH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
119856,29118-61-4,OtherMutliCpd,Compound,C1C[C@H](N(C1)CC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)O,QQBMYMKLRZUCDK-JZKKDOLYSA-N,none,none,none,none,none,none,none,none,none,none,none
119900,valofin,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)C)C(C)C,VYQSSWZYPCCBRN-HZSPNIEDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
119911,Isopropyl nonanoate,OtherMutliCpd,Compound,CCCCCCCCC(=O)OC(C)C,DVFZGWDMFKTMFQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
119930,"1	3	5-Triphenylcyclohexane",OtherMutliCpd,Compound,C1C(CC(CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,YVPJVAWPIRGOJN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
119956,"2	6-Diisopropyl-3-methylphenol",OtherMutliCpd,Compound,CC1=C(C(=C(C=C1)C(C)C)O)C(C)C,KEGGEHPMMDYTGB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
120059,"3a	20b-Pregnanediol",OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)O)C)C)O,YWYQTGBBEZQBGO-TUSLFBNQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
120501,Diferidin,OtherMutliCpd,Compound,C1CCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O,MGWAMKURIHGGNO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
120639,Prulaurasin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,ZKSZEJFBGODIJW-MXNNCRBYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
120693,Piscidein,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(C(=O)O)O)(C(=O)O)O)O,TUODPMGCCJSJRH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
120742,Nepitrin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,DMXHXBGUNHLMQO-IWLDQSELSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
121053,3-Phenylbenzaldehyde,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=CC=C2)C=O,KFKSIUOALVIACE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
121396,Carglumic acid,Drug,Compound,C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N,LCQLHJZYVOQKHU-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
121658,"1	3-dihydroxypropan-2-yl docosanoate",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,DNULQWTYMFQUHB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
121667,Ethyl D-glucoside,OtherMutliCpd,Compound,CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,WYUFTYLVLQZQNH-JAJWTYFOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
121677,"1	1	6-Trimethyl-1	2-dihydronaphthalene",OtherMutliCpd,Compound,CC1=CC2=C(C=C1)C(CC=C2)(C)C,RTUMCNDCAVLXEP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
121853,Neolactotetraose,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,RBMYDHMFFAVMMM-PLQWBNBWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
121893,protoporphyrinogen,OtherMutliCpd,Compound,CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C,UHSGPDMIQQYNAX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
121896,2-methyltryptoline,OtherMutliCpd,Compound,CN1CCC2=C(C1)NC3=CC=CC=C23,JOFKCNJIUXPJAC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
121922,PCSO,OtherMutliCpd,Compound,C=CCS(=O)CC(C(=O)O)N,XUHLIQGRKRUKPH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
121941,Galabiose,OtherMutliCpd,Compound,C([C@@H]1[C@@H](C([C@H]([C@H](O1)O[C@@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O,DKXNBNKWCZZMJT-WLWMBPAKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
121947,shikimate-3-phosphate,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,QYOJSKGCWNAKGW-PBXRRBTRSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Alkyl phosphates,Monoalkyl phosphates,none,none,none,none,none
121948,Cerebrosterol,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,IOWMKBFJCNLRTC-XWXSNNQWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
122045,Arabic acid,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O,QXKAIJAYHKCRRA-JJYYJPOSSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
122083,deoxyhypusine,OtherMutliCpd,Compound,C(CCNCCCCN)C[C@@H](C(=O)O)N,PGPFBXMCOQNMJO-VIFPVBQESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
122091,"3	4-G-5-diGQA",OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,OFTCZZCLDWTQNJ-JUUXLJTDSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
122097,Soyasaponin I,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O,PTDAHAWQAGSZDD-IOVCITQVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
122121,phytosphingosine,OtherMutliCpd,Compound,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O,AERBNCYCJBRYDG-KSZLIROESA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--3-aminoalcohols,none,none,none,none,none
122136,dopamine 3-O-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCN)OS(=O)(=O)O)O,NZKRYJGNYPYXJZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
122166,5-Thca,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@]4([C@@]3(CC[C@H](C4)O)C)C(=O)O)O)O)C,JIFNDZCDNLFAKC-YAODFNMUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
122196,triiodothyronine sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)OS(=O)(=O)O,XBQYQXVJBNDCGY-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
122281,Estriol-16-glucosiduronate,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O,FQYGGFDZJFIDPU-JRSYHJKYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
122304,glucosylgalactosylhydroxylysine,OtherMutliCpd,Compound,C(CC(CN)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H](C([C@@H]([C@H](O2)CO)O)O)O)[C@@H](C(=O)O)N,UTIRJVJBKWSIOX-SRMFCGEKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
122312,Coprocholic acid,OtherMutliCpd,Compound,C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,CNWPIIOQKZNXBB-VCVMUKOKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
122340,ursocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-UTLSPDKDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
122347,10-Fthf,OtherMutliCpd,Compound,C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,AUFGTPPARQZWDO-YUZLPWPTSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
122356,N-(4-aminobutyl)acetamide,OtherMutliCpd,Compound,CC(=O)NCCCCN,KLZGKIDSEJWEDW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
122458,"2	5-Diamino-1	8-dihydroxyanthraquinone",OtherMutliCpd,Compound,C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)N)O)N,KKIZIJGDUTUFQL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,2-aminoanthraquinones,none,none,none,none,none,none
122594,"3	5-Dimethyl-2-propylpyrazine",OtherMutliCpd,Compound,CCCC1=NC=C(N=C1C)C,UTRAUCDSVCDVIW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
122635,Emodin anthrone,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3C2=O)O)O)O,LAJSXCAVRQXZIO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
122724,celastrol,OtherMutliCpd,Compound,CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O,KQJSQWZMSAGSHN-JJWQIEBTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
122731,Staphylomycin S,OtherMutliCpd,Compound,CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C,FEPMHVLSLDOMQC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
122738,Procyanidin B2,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,XFZJEEAOWLFHDH-NFJBMHMQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
122851,Licopyranocoumarin,OtherMutliCpd,Compound,CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO,MOBCUWLJOZHPQL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
122857,Germanicol,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C,QMUXVPRGNJLGRT-PNTWTTAKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
122858,"(3S	4aR	6aR	6bS	8S	8aS	12aS	14bR)-4	4	6a	6b	8a	11	11	14b-octamethyl-1	2	3	4a	5	6	7	8	9	10	12	12a	14	14a-tetradecahydropicene-3	8-diol",OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3(C2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O)C)C)(C)C)O,VLRYIIPJIVGFIV-XSDXNTANSA-N,none,none,none,none,none,none,none,none,none,none,none
122865,"(3r	3ar	5ar	9s	11as	13as)-3a	5a	8	8	11a	13a-hexamethyl-3-(propan-2-yl)-2	3	3a	4	5	5a	5b	6	7	7a	8	9	10	11	11a	13	13a	13b-octadecahydro-1h-cyclopenta[a]chrysen-9-ol",OtherMutliCpd,Compound,CC(C)[C@H]1CCC2[C@@]1(CC[C@]3([C@]2(CC=C4C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C,VWYANPOOORUCFJ-MDKQJYPSSA-N,none,none,none,none,none,none,none,none,none,none,none
122977,3-pentyloxan-2-one,OtherMutliCpd,Compound,CCCCCC1CCCOC1=O,GYSLAGLXKCQGLV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
122997,4-(Hydroxymethyl)benzenediazonium ion,OtherMutliCpd,Compound,C1=CC(=CC=C1CO)[N+]#N,BTKRSPXVXZNYGV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
123197,4-Methoxybenzyl isothiocyanate,OtherMutliCpd,Compound,COC1=CC=C(C=C1)CN=C=S,IMFQYAJJXFXVMM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
123409,2-Palmitoylglycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC(CO)CO,BBNYCLAREVXOSG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
123595,Lactaroviolin,OtherMutliCpd,Compound,CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C=O,PUEUPUYRYIOTKZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
123600,Levalbuterol,Drug,Compound,CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O,NDAUXUAQIAJITI-LBPRGKRZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl alcohols,Benzyl alcohols,none,none,none,none,none,none
123606,Almotriptan,Drug,Compound,CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3,WKEMJKQOLOHJLZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
123631,Gefitinib,Drug,Compound,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4,XGALLCVXEZPNRQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,Quinazolinamines,none,none,none,none,none
123675,"3	5-Diiodothyronine",OtherMutliCpd,Compound,C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I,ZHSOTLOTTDYIIK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
123689,N8-Acetylspermidine,OtherMutliCpd,Compound,CC(=O)NCCCCNCCCN,FONIWJIDLJEJTL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
123694,Diadenosine hexaphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,PZCFFCOJNXGTIM-XPWFQUROSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
123699,dimyristoylphosphatidylserine,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC,WKJDWDLHIOUPPL-JSOSNVBQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
123708,Fructosyllysine,OtherMutliCpd,Compound,C(CCNCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@H](C(=O)O)N,BFSYFTQDGRDJNV-QCNRFFRDSA-N,none,none,none,none,none,none,none,none,none,none,none
123743,7alpha-Hydroxy-4-cholesten-3-one,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,IOIZWEJGGCZDOL-RQDYSCIWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
123747,noradrenaline sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1[C@H](CN)O)O)OS(=O)(=O)O,CVJMZWLHUCMEKO-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
123762,aerobactin,OtherMutliCpd,Compound,CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O,KDHHWXGBNUCREU-HOTGVXAUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
123774,tri-n-acetylchitotriose,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)O)O,LRDDKCYRFNJZBX-WHFMPQCRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
123784,2-(Pyrrolidin-2-yl)acetic acid,OtherMutliCpd,Compound,C1CC(NC1)CC(=O)O,ADSALMJPJUKESW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,none,Pyrrolidines,none,none,none,none,none,none
123796,Pregnanediol-3-glucuronide,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O,ZFFFJLDTCLJDHL-JQYCEVDMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
123802,GcNeu,OtherMutliCpd,Compound,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,FDJKUWYYUZCUJX-AJKRCSPLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,Neuraminic acids,none,none
123804,kyotorphin,OtherMutliCpd,Compound,C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O,JXNRXNCCROJZFB-RYUDHWBXSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
123814,Angiotensin IV,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N,QSBGWDDCOJYQGY-KOQODJNWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
123826,Aspartylglucosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)N)CO)O)O,YTTRPBWEMMPYSW-HRRFRDKFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
123831,"N	N-dimethylarginine",OtherMutliCpd,Compound,CN(C)C(=NCCC[C@@H](C(=O)O)N)N,YDGMGEXADBMOMJ-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Arginine and derivatives,none,none,none,none
123871,topaquinone,OtherMutliCpd,Compound,C1=C(C(=CC(=O)C1=O)O)C[C@@H](C(=O)O)N,YWRFBISQAMHSIX-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
123908,hydroxycitric acid,OtherMutliCpd,Compound,C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O,ZMJBYMUCKBYSCP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
123912,galactose-1-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,HXXFSFRBOHSIMQ-FPRJBGLDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
123914,3'-Sialyllactose,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O,OIZGSVFYNBZVIK-FHHHURIISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
123917,Enterolactone,OtherMutliCpd,Compound,C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O,HVDGDHBAMCBBLR-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
123929,pristanic acid,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O,PAHGJZDQXIOYTH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
123932,dopamine 4-O-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O,DEKNNWJXAQTLFA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
123938,gamma-glutamylcysteine,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,RITKHVBHSGLULN-WHFBIAKZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
123962,9-Anana,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O,NYWZBRWKDRMPAS-GRRZBWEESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,Neuraminic acids,none,none
123976,27-hydroxycholesterol,OtherMutliCpd,Compound,C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CO,FYHRJWMENCALJY-YSQMORBQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
123991,dehydroalanine,OtherMutliCpd,Compound,C=C(C(=O)O)N,UQBOJOOOTLPNST-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
124014,3beta-Arborinol,OtherMutliCpd,Compound,CC(C)[C@@H]1CCC2[C@]1(CC[C@@]3([C@@]2(CC=C4C3CCC5[C@@]4(CC[C@H](C5(C)C)O)C)C)C)C,VWYANPOOORUCFJ-TZKWAJHPSA-N,none,none,none,none,none,none,none,none,none,none,none
124016,"Procyanidin B2 3	3'-di-O-gallate",OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,KTLUHRSHFRODPS-RIQPQZJCSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
124017,Procyanidin B5,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=C(C(=C21)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O,GMISZFQPFDAPGI-CVJZBMGUSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
124022,"3	5-G-4-diGQA",OtherMutliCpd,Compound,C1[C@H](C([C@@H](CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,IUPQNOUMMBZOED-JHZIIMIVSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
124023,"3-O-Digalloyl-4	5-di-O-galloylquinic acid",OtherMutliCpd,Compound,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,OFTCZZCLDWTQNJ-ZVLUUUFJSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
124025,Proanthocyanidin A2,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C3[C@@H]4[C@H]([C@@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O,NSEWTSAADLNHNH-LSBOWGMISA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
124049,Glabranin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=CC=C3)O)O)C,DAWSYIQAGQMLFS-SFHVURJKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
124072,Tetrahydrocurcumin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O,LBTVHXHERHESKG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
124075,Casimiroin,OtherMutliCpd,Compound,CN1C(=O)C=C(C2=C1C3=C(C=C2)OCO3)OC,DPXXJCMMMXZVSW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
124087,Desloratadine,Drug,Compound,C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4,JAUOIFJMECXRGI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzocycloheptapyridines,none,Benzocycloheptapyridines,none,none,none,none,none,none
124103,N-(4-Hydroxy-3-methyl-1-naphthyl)acetamide,OtherMutliCpd,Compound,CC1=C(C2=CC=CC=C2C(=C1)NC(=O)C)O,WBCVLLLKWZXXBK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
124148,(s)-n-methylsalsolinol,OtherMutliCpd,Compound,C[C@H]1C2=CC(=C(C=C2CCN1C)O)O,RKMGOUZXGHZLBJ-ZETCQYMHSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
124197,Nitrosoheme,OtherMutliCpd,Compound,[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)[O-])CCC(=O)[O-].N#[O+].[Fe],VVJKIDCZHAUALD-UHFFFAOYSA-L,none,none,none,none,none,none,none,none,none,none,none
124375,Galloylglucose,OtherMutliCpd,Compound,CO[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O,KGHSLXLLBHRMML-PHSPRSPYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
124402,Pulcherosine,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)O)N)OC2=C(C(=CC(=C2)CC(C(=O)O)N)C3=C(C=CC(=C3)CC(C(=O)O)N)O)O,YLKSMWKXSSBSNR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
124628,L-681176,OtherMutliCpd,Compound,C(CNC(CC(=O)O)C(=O)O)NC(CC(CN=C(N)N)O)C(=O)O,UULSZYUKAFTXQP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
124823,Heptulose-2-Phosphate,OtherMutliCpd,Compound,C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O,QZBAZODTRUGOQS-XUUWZHRGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
124881,4-Phenylbutyl isothiocyanate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCCN=C=S,CCBQOLFAKKAMLD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
124886,glutathione,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,RWSXRVCMGQZWBV-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
124900,TEDAM,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)OC)N,WORMYLRHFRNKLF-LSDHHAIUSA-N,none,none,none,none,none,none,none,none,none,none,none
125017,Desvenlafaxine,Drug,Compound,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,KYYIDSXMWOZKMP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
125100,"6	7	4'-Trihydroxyisoflavanone",OtherMutliCpd,Compound,C1C(C(=O)C2=CC(=C(C=C2O1)O)O)C3=CC=C(C=C3)O,ZAIJTQZQMCNJHG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
125128,Neuac-lact,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O,RPSBVJXBTXEJJG-LURNZOHQSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,Neuraminic acids,none,none
125143,"Ergost-5-ene-3beta	7alpha-diol",OtherMutliCpd,Compound,C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,QZTNWQQTEVRSMC-COONVOOFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
125198,S-Propylcysteine,OtherMutliCpd,Compound,CCCSCC(C(=O)O)N,WAAGBMYUYFBZIW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
125207,11-Dodecenoic acid,OtherMutliCpd,Compound,C=CCCCCCCCCCC(=O)O,GZZPOFFXKUVNSW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
125210,Phytolaccoside E,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6COC(C(C6O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC,YRHWKFMGEDDGIJ-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
126031,Armillaridin,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@H]2C[C@@]3([C@]2(C(=C[C@@H]4[C@H]3CC(C4)(C)C)C=O)O)C,QETHRCCHQRWBIJ-RJPCOFTLSA-N,none,none,none,none,none,none,none,none,none,none,none
126170,Guanidinooxypropylamine,OtherMutliCpd,Compound,C(CN)CON=C(N)N,JGMONYLSKFKAJN-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Guanidines,Guanidines,none,none,none,none,none,none
126324,Heterotropan,OtherMutliCpd,Compound,CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C,WCERJEZPIONOJU-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Cyclobutane lignans,none,Cyclobutane lignans,none,none,none,none,none,none
126511,Lithocholate 3-O-glucuronide,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C,GIQXKAXWRLHLDD-VOJQCDQYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
126863,"4-Menthane-1	7	8-triol",OtherMutliCpd,Compound,CC(C)(C1CCC(CC1)(CO)O)O,TVWCVYDBLMOUAI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
126890,6-Gingesulfonic acid,OtherMutliCpd,Compound,CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O,UGTSZVWDFDIWIG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
126923,n-ribosylhistidine,OtherMutliCpd,Compound,C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C[C@@H](C(=O)O)N,TTYCFBAOLXCFAB-VAPHQMJDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
126941,methotrexate,Drug,Compound,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,FBOZXECLQNJBKD-ZDUSSCGKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
127027,3-Gpxbt,OtherMutliCpd,Compound,CC(C(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O,ZLXYJEYKAQYNPV-OEUNVOOHSA-N,none,none,none,none,none,none,none,none,none,none,none
127295,Repandiol,OtherMutliCpd,Compound,C(C1C(O1)C#CC#CC2C(O2)CO)O,BQWDCZPSFPXRCB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Epoxides,none,Epoxides,none,none,none,none,none,none
127355,EDADG,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C(C=C(C=C58)CO)O)CO)O,SRMDEPOHSPJLPJ-ZVZSMHEHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
127370,N2-Succinyl-L-ornithine,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN,VWXQFHJBQHTHMK-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
127448,Octanoylglucuronide,OtherMutliCpd,Compound,CCCCCCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,ASFORWUCPCKFPY-BYNIDDHOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
127546,"2	6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine",OtherMutliCpd,Compound,CN(C=O)C1=C(NC(=NC1=O)N)N,CGWDNAFNQOBSCK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Hydroxypyrimidines,none,none,none,none,none,none
127555,Rigin,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,UEJYSALTSUZXFV-SRVKXCTJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
127601,Isoursodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C,RUDATBOHQWOJDD-DNMBCGTGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
127870,Veranisatin A,OtherMutliCpd,Compound,CC1CCC2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O,LXPKORXZVZPYLY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
127871,Veranisatin B,OtherMutliCpd,Compound,CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O,BPDHZCGFGOWILW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
128014,Isoannonacin,OtherMutliCpd,Compound,CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O,DGQPZGGOYKKJLX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Annonaceous acetogenins,none,none,none,none,none,none
128145,3-Methylglutarylcarnitine,OtherMutliCpd,Compound,CC(CC(=O)[O-])CC(=O)OC(CC(=O)O)C[N+](C)(C)C,HFCPFJNSBPQJDP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
128210,Had-glucuronide,OtherMutliCpd,Compound,C[C@]12CCC(=O)C(=C1CCC3C2CC[C@]4(C3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,JIKFCHILHFFTSH-NRIFOQJISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
128251,3-Hydroxyestran-17-one,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4[C@@H]3CCC(C4)O,UOUIARGWRPHDBX-AWLYHSJUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
128419,"Inositol 1	3-bisphosphate",OtherMutliCpd,Compound,[C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)O)OP(=O)(O)O)O,PUVHMWJJTITUGO-WJPCITMWSA-N,none,none,none,none,none,none,none,none,none,none,none
128439,Postin,OtherMutliCpd,Compound,C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,WUUNPBLZLWVARQ-QAETUUGQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
128458,2-Hydroxysebacic acid,OtherMutliCpd,Compound,C(CCCC(C(=O)O)O)CCCC(=O)O,LPIOYESQKJFWPQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
128508,E3-Prop,OtherMutliCpd,Compound,CCC(=O)O[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C)O,QKLDCEYHDKPVDK-PRIYMHJNSA-N,none,none,none,none,none,none,none,none,none,none,none
128859,3-Oxooctanoic acid,OtherMutliCpd,Compound,CCCCCC(=O)CC(=O)O,FWNRRWJFOZIGQZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
128869,D-Galactonic acid,OtherMutliCpd,Compound,C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,RGHNJXZEOKUKBD-MGCNEYSASA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
129228,Rufinamide,Drug,Compound,C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F,POGQSBRIGCQNEG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,2-heteroaryl carboxamides,none,none,none,none,none
129280,6-Oxocannabidiol glucoside,OtherMutliCpd,Compound,CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@H]3C=C(CC[C@@H]3C(=C)C)C)O,DTPDUSBNMCFKKQ-OVFIKLTOSA-N,none,none,none,none,none,none,none,none,none,none,none
129285,isovalerylalanine,OtherMutliCpd,Compound,C[C@@H](C(=O)O)NC(=O)CC(C)C,OJPSNARFDYTAEN-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
129290,Planinin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC5=C(C=C4)OCO5)OC,AWOGQCSIVCQXBT-LYDRAKHJSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
129326,Eutypine,OtherMutliCpd,Compound,CC(=C)C#CC1=C(C=CC(=C1)C=O)O,SFCYVTIQMNZUCZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,Benzaldehydes,Hydroxybenzaldehydes,none,none,none
129395,Tetracenomycin X,OtherMutliCpd,Compound,CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)OC)C(=O)OC,QSPIPUXWSNFXCK-AGILITTLSA-N,Organic compounds,Benzenoids,Naphthacenes,Tetracenequinones,Tetracenequinones,none,none,none,none,none,none
129429,Panaxacol,OtherMutliCpd,Compound,CCCCCCC[C@H]([C@@H](CC#CC#CC(=O)CC)O)O,VNLATJUGAZKQEH-IAGOWNOFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
129556,niazirin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC#N)O)O)O,OBJREHLZEIEGDU-CNJBRALLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
129657,MPPC,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,RFVFQQWKPSOBED-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
129803,4a-Hydroxytetrahydrobiopterin,OtherMutliCpd,Compound,CC(C(C1CN=C2C(N1)(C(=O)N=C(N2)N)O)O)O,KJKIEFUPAPPGBC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
129846,8-Dehydrocholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,VUKORTMHZDZZFR-BXAZICILSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
130009,Ginsenoside-La,OtherMutliCpd,Compound,CC(=C[C@H]1C[C@]([C@H]2CC[C@]3(C2[C@H](O1)C[C@H]4[C@H]3CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C,VOUCMBDNXOKLCQ-YATHHJDDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
130310,"5-{11-hydroxy-11-[5'-(1-hydroxyundecyl)octahydro-2	2'-bifuran-5-yl]undecyl}-3-(2-oxopropyl)dihydrofuran-2(3h)-one",OtherMutliCpd,Compound,CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O,KGGVWMAPBXIMEM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Annonaceous acetogenins,none,none,none,none,none,none
130335,"Nonacosane-6	8-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O,DAGYDJHSDMRWJX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
130346,125073-27-0,OtherMutliCpd,Compound,C1C(C(C(C1N2C=NC3=C2N=C(N=C3N)N)O)O)CO,ZLJQBJBJBIATTP-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Nucleoside and nucleotide analogues,Cyclopentyl nucleosides,1--3-substituted cyclopentyl nucleosides,1--3-substituted cyclopentyl purine nucleosides,none,none,none,none,none
130418,mannitol 1-phosphate,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,GACTWZZMVMUKNG-KVTDHHQDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
130445,2-Benzylamino-4-methyl-7-diethylaminobenzopyrylium,OtherMutliCpd,Compound,CCN(CC)C1=CC2=C(C=C1)C(=CC(=[NH+]CC3=CC=CC=C3)O2)C,DFYFAKGTYMAJEQ-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
130556,Procyanidin D,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,XFZJEEAOWLFHDH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
130679,Xanthoxylol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O,VBIRCRCPHNUJAS-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
130805,5'-phosphoribosyl-N-formylglycinamide,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O,VDXLUNDMVKSKHO-XVFCMESISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Glycinamide ribonucleotides,none,Glycinamide ribonucleotides,none,none,none,none,none,none
130881,Olmesartan medoxomil,Drug,Compound,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O,UQGKUQLKSCSZGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
130901,Squamone,OtherMutliCpd,Compound,CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(=O)CCCCC2CC(C(=O)O2)CC(=O)C)O)O,PAFMHAFYJMTISR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Annonaceous acetogenins,none,none,none,none,none,none
131039,Panasinsanol B,OtherMutliCpd,Compound,C[C@]12CCCC(C13CC([C@@H]3CC2)(C)C)(C)O,ZEQZCZRDJPTCHI-MWTAGDMHSA-N,none,none,none,none,none,none,none,none,none,none,none
131150,PC(14:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,TYAQXZHDAGZOEO-KXQOOQHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
131204,Dexpanthenol,Drug,Compound,CC(C)(CO)[C@H](C(=O)NCCCO)O,SNPLKNRPJHDVJA-ZETCQYMHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
131281,Ketoprofen glucuronide,OtherMutliCpd,Compound,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,PBTXSZZKPHBHMA-LYFYOZKASA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
131742,Thyroxine sulfate,OtherMutliCpd,Compound,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)OS(=O)(=O)O)I)I)C[C@@H](C(=O)O)N,QYXIJUZWSSQICT-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
131760,4-Hydroxyisovalerate,OtherMutliCpd,Compound,CC(CC(=O)O)CO,ZGYGEPZZMAXSKH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
131828,Momorcharaside B,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O,BQQVUJRUVFZIJJ-MCUCJKLQSA-N,none,none,none,none,none,none,none,none,none,none,none
131861,Momorcharaside A,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O,WBYJYPOPDKQBQJ-SAWDJCFZSA-N,none,none,none,none,none,none,none,none,none,none,none
131866,Armillaritin,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C)O)O,CXDPJDYGYSRNDR-MTJRIOAFSA-N,none,none,none,none,none,none,none,none,none,none,none
131867,Armillarivin,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@H]2C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)C)O)O,NFCOJBIECSQMAM-JQISRXLJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
132680,"N1	N12-Diacetylspermine",OtherMutliCpd,Compound,CC(=O)NCCCNCCCCNCCCNC(=O)C,NPDTUDWGJMBVEP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
132862,Targinine,OtherMutliCpd,Compound,CN=C(N)NCCC[C@@H](C(=O)O)N,NTNWOCRCBQPEKQ-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Arginine and derivatives,none,none,none,none
133187,"4	4-dimethyl-14a-formyl-5a-cholesta-8	24-dien-3b-ol",OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=O,PGGIMLIQOHYFIS-DHVLVQQASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
133383,isovalerylglutamic acid,OtherMutliCpd,Compound,CC(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O,HCVIJONZMYVLAW-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
133402,S-(2-Carboxypropyl)cysteamine,OtherMutliCpd,Compound,CC(CSCCN)C(=O)O,UFRVABODKAYFCB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Amino acids,none,none,none,none,none
133454,Panasinsanol A,OtherMutliCpd,Compound,C[C@]12CCC[C@@](C13CC([C@@H]3CC2)(C)C)(C)O,ZEQZCZRDJPTCHI-JCHYFPDLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
133455,"3b	15b	17a-Trihydroxy-Pregnenone",OtherMutliCpd,Compound,CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O,VWUZUCWRCBMJNW-YZUCACDQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
133503,1-[(carboxyacetyl)amino]cyclopropanecarboxylic acid,OtherMutliCpd,Compound,C1CC1(C(=O)O)NC(=O)CC(=O)O,QXOQNNAWFUXKMH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
133534,Castasterone,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O,VYUIKSFYFRVQLF-YLNAYWRASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
133604,81081-59-6,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCN)C(=O)O,ZABMJSAHPWHMNM-QCOJBMJGSA-N,none,none,none,none,none,none,none,none,none,none,none
134018,Febuxostat,Drug,Compound,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,BQSJTQLCZDPROO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Thiazoles,Thiazolecarboxylic acids and derivatives,none,none,none,none,none,none
134162,Isodityrosine,OtherMutliCpd,Compound,C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=C(C=CC(=C2)CC(C(=O)O)N)O,FWZXNPNHUWFOCM-LSLKUGRBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
134203,4-[4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxyphenol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O,MHXCIKYXNYCMHY-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--9'-epoxylignans,none,none,none,none,none,none
134279,Pteroside B,OtherMutliCpd,Compound,C[C@@H]1CC2=CC(=C(C(=C2C1=O)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C,UQYNGSPDPASNLN-BLAIOOKWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
134490,"L-2	4-diaminobutyric acid",OtherMutliCpd,Compound,C(CN)[C@@H](C(=O)O)N,OGNSCSPNOLGXSM-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
134494,Etiocholanediol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,CBMYJHIOYJEBSB-GCXXXECGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
134506,Dehydroandrosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@H](C4)O)C,FMGSKLZLMKYGDP-HKQXQEGQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
134522,AC1L34R3,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O)C(=O)C(O)S(=O)(=O)O,MFQYILXBRZFYLI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
134601,aspartame,OtherMutliCpd,Compound,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N,IAOZJIPTCAWIRG-QWRGUYRKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
134774,2'-Distichonic acid A,OtherMutliCpd,Compound,C([C@H]([C@@H](C(=O)O)NCC(C(C(=O)O)O)O)O)NCC(=O)O,MTSCMKDFRXDNNA-RCAXORGESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
134978,Pterosin F,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C1=O)C)CCCl)C,DFJCTWMNTSWCRI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
135029,Pterosin H,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)CC(C2=O)(C)C)C)CCCl,CPNGMVOUDSBLOG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
135113,"2-Methyl-5-tert-butyl-1	3-benzodioxole",Drug,Compound,CC1OC2=C(O1)C=C(C=C2)C(C)(C)C,QOAMCMUZZWSALB-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
135191,D-Xylose,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O,SRBFZHDQGSBBOR-IOVATXLUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
136297,4-Androstenediol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@]34C)O,BTTWKVFKBPAFDK-LOVVWNRFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
136417,UNII-07JTS22V9J,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC)OC)OC,JDVPHCLYMGBZLE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
137071,N-Isobutylacetamide,OtherMutliCpd,Compound,CC(C)CNC(=O)C,VDQMVRFHUYAKJL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Acetamides,none,none,none,none,none
137383,Isovalerylglucuronide,OtherMutliCpd,Compound,CC(C)CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,VOJAALAAOYUSCT-ZCLKDUABSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
137394,N-Isovalerylsarcosine,OtherMutliCpd,Compound,CC(C)CC(=O)N(C)CC(=O)O,GPFSWCRCPHKNBU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
137938,2-Monomyristin,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC(CO)CO,TVIMZSOUQXNWHO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
138052,9-Hydroxynonanoic acid,OtherMutliCpd,Compound,C(CCCCO)CCCC(=O)O,AFZMICRBFKZNIH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
138857,"Benzenamine	N-[(3-methylphenyl)methylene]-",OtherMutliCpd,Compound,CC1=CC=CC(=C1)C=NC2=CC=CC=C2,PKKIGIFBWCPDLJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
138872,2-Acetyl-6-methylpyridine,OtherMutliCpd,Compound,CC1=CC=CC(=N1)C(=O)C,FPQMUQPPAYCAME-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
139895,"3-Isopropyl-6-methyl-2	5-dioxopiperazine",OtherMutliCpd,Compound,CC1C(=O)NC(C(=O)N1)C(C)C,ORLDMMKUTCCBSM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
139921,"4-Methyl-2	5-diisopropylphenol",OtherMutliCpd,Compound,CC1=CC(=C(C=C1C(C)C)O)C(C)C,UJBZHJNVIHOWFA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
140511,3-Methylhexanal,OtherMutliCpd,Compound,CCCC(C)CC=O,ZSJUABCTGCNBPF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
140640,"1	2-diphenylcyclobutane",OtherMutliCpd,Compound,C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3,AERGGMDNGDDGPI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
141581,2-(n-Heptanoyl)thiophene,OtherMutliCpd,Compound,CCCCCCC(=O)C1=CC=CS1,BDNFJEMAAFFMFH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
141850,1-Phenylethanethiol,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)S,QZZBJCFNHPYNKO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
142266,Benzyl 3-oxobutanoate,OtherMutliCpd,Compound,CC(=O)CC(=O)OCC1=CC=CC=C1,WOFAGNLBCJWEOE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
142315,beta-Caran-3-ol,OtherMutliCpd,Compound,CC1(C2C1CC(CC2)(C)O)C,ZOKKRMIFZVQTTP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
142540,p-Octyloxybenzylidene p-cyanoaniline,OtherMutliCpd,Compound,CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N,OUUJTVZTPFJGMR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
142966,But-3-ynal,OtherMutliCpd,Compound,C#CCC=O,OGQNOIVDVXRWRE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
143345,4-Methyl-2-heptanol,OtherMutliCpd,Compound,CCCC(C)CC(C)O,GUHWHNUGIGOSCN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
143990,"2	5-dimethyl-3-(methylthio)furan",OtherMutliCpd,Compound,CC1=CC(=C(O1)C)SC,DWAOFMNMQUXUGG-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
145659,Sinensetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC,LKMNXYDUQXAUCZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
145742,L-proline,OtherMutliCpd,Compound,C1C[C@H](NC1)C(=O)O,ONIBWKKTOPOVIA-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
145815,D-glutamine,OtherMutliCpd,Compound,C(CC(=O)N)[C@H](C(=O)O)N,ZDXPYRJPNDTMRX-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,D-alpha-amino acids,none,none,none
145858,Flavylium,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2,NWKFECICNXDNOQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Anthocyanidins,Anthocyanidins,none,none,none,none,none,none
146093,Gossypetin hexamethyl ether,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC,XBZIUXVIWRAJKB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
146123,Myricanol-15-glucoside,OtherMutliCpd,Compound,COC1=C(C(=C2CCCC[C@H](CCC3=CC(=C(C=C3)O)C1=C2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC,NPSYWDNXSMBWKP-LMNFFIPXSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Cyclic diarylheptanoids,Meta--meta-bridged biphenyls,none,none,none,none,none,none
146167,Danielone,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C(=O)CO,ZTBAPEIDNUHRNC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
146302,dITP,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,UFJPAQSLHAGEBL-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside triphosphates,Purine 2'-deoxyribonucleoside triphosphates,none,none,none,none,none
146487,8-Hydroxy-7-methoxycoumarin,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C=CC(=O)O2)O,KIGCGZUAVODHMD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
146570,Escitalopram,Drug,Compound,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,WSEQXVZVJXJVFP-FQEVSTJZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
146798,Procyanidin B3,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,XFZJEEAOWLFHDH-AVFWISQGSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
146808,Valerianol,OtherMutliCpd,Compound,CC1CCC=C2C1(CC(CC2)C(C)(C)O)C,MQWIFDHBNGIVPO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
147004,Methylselenocysteine,OtherMutliCpd,Compound,C[Se]C[C@@H](C(=O)O)N,XDSSPSLGNGIIHP-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
147299,Procyanidin B4,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,XFZJEEAOWLFHDH-VUGKQVTMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
147311,"5	6-Indolinediol",OtherMutliCpd,Compound,C1CNC2=CC(=C(C=C21)O)O,VGSVNUGKHOVSPK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
147559,Pterosin D,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)[C@H](C(C2=O)(C)C)O)C)CCO,FITSCHPIOGIYJY-CYBMUJFWSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
147621,Questinol,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)C(=O)C3=CC(=CC(=C3C2=O)O)CO,SNBGJGNOQURXCI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
147894,Polypodoside A,OtherMutliCpd,Compound,C[C@H]1CC[C@@H](O[C@@H]1O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)[C@@H](C)[C@H]3CC[C@H]4[C@@]3(CC[C@@H]5C4=CC(=O)[C@H]6[C@@]5(CC[C@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C,OFFJUHSISSNBNT-NZWHLKEESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
148121,Pralatrexate,Drug,Compound,C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,OGSBUKJUDHAQEA-WMCAAGNKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
148123,Docetaxel trihydrate,Drug,Compound,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O,XCDIRYDKECHIPE-QHEQPUDQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Taxanes and derivatives,none,none,none,none,none,none
148192,Atazanavir,Drug,Compound,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,AXRYRYVKAWYZBR-GASGPIRDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Valine and derivatives,none,none,none,none
148535,2-(4-Methoxyphenyl)-3-methyloxirane,OtherMutliCpd,Compound,CC1C(O1)C2=CC=C(C=C2)OC,YUWWNQUBHDXKMT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
148708,3-bromotyrosine,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)N)Br)O,HGWOSUKIFQMEIF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
148710,Pterosin N,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)CC(C2=O)(C)O)C)CCO,FQLXILLXEWJGFO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
149036,U-32.422E,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)N=C(N2)NC(=O)N(C)C.O.Cl,ACPCHKQKISUWCK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
149096,LEVOFLOXACIN,Drug,Compound,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,GSDSWSVVBLHKDQ-JTQLQIEISA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
149186,"trans-1	2-Dihydrobenzene-1	2-diol",OtherMutliCpd,Compound,C1=C[C@H]([C@@H](C=C1)O)O,YDRSQRPHLBEPTP-PHDIDXHHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
149547,NIGERONE,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C3=C(C=C(C=C3C(=C2O1)C4=C5C(=C(C6=C(C=C(C=C64)OC)OC)O)C(=O)C=C(O5)C)OC)OC)O,MBDIPBHBEVOYQB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
150311,Ezetimibe,Drug,Compound,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,OLNTVTPDXPETLC-XPWALMASSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Monobactams,none,none,none,none,none,none
150345,9-amino-n-(2-(4-morpholinyl)ethyl)-4-acridinecarboxamide,OtherMutliCpd,Compound,C1COCCN1CCNC(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)N,CUJXCTHCYRNLIF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,none,none,none,none,none,none
150610,Ertapenem,Drug,Compound,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O,JUZNIMUFDBIJCM-ANEDZVCMSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Carbapenems,Thienamycins,none,none,none,none,none
150711,Balanitoside,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O,RPYHJEFMMXMMHG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
150885,N-Methylserotonin,OtherMutliCpd,Compound,CNCCC1=CNC2=C1C=C(C=C2)O,ASUSBMNYRHGZIG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,none,none,none,none,none,none
150888,Columbianetin,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O,YRAQEMCYCSSHJG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
150893,1178-24-1,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC,SSXJHQZOHUYEGD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
150914,gamma-Glu-gln,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[C@@H](C(=O)O)N,JBFYFLXEJFQWMU-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
150929,"3	4-Dihydroxybutanoic acid",OtherMutliCpd,Compound,C(C(CO)O)C(=O)O,DZAIOXUZHHTJKN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
150996,2-Methylacetoacetic acid,OtherMutliCpd,Compound,CC(C(=O)C)C(=O)O,GCXJINGJZAOJHR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
151006,Galactonolactone,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,WTXGYGWMPUGBAL-MGCNEYSASA-N,Organic compounds,Organoheterocyclic compounds,Lactones,none,Lactones,none,none,none,none,none,none
151008,N-Palmitoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,KVTFEOAKFFQCCX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
151012,4-Hydroxyhippuric acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)NCC(=O)O)O,ZMHLUFWWWPBTIU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
151018,5-methoxy-L-tryptophan,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N,KVNPSKDDJARYKK-JTQLQIEISA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,none,none,none,none,none,none
151031,Tricholomic acid,OtherMutliCpd,Compound,C1C(ONC1=O)C(C(=O)O)N,NTHMUJMQOXQYBR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
151066,3-Methyldioxyindole,OtherMutliCpd,Compound,CC1(C2=CC=CC=C2NC1=O)O,XCHBYBKNFIOSBB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
151068,Caspofungin,Drug,Compound,CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O,JYIKNQVWKBUSNH-FMIIYRCSSA-N,none,none,none,none,none,none,none,none,none,none,none
151075,Nepafenac,Drug,Compound,C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CC(=O)N)N,QEFAQIPZVLVERP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
151138,4-Hydroxycyclohexanecarboxylic acid,OtherMutliCpd,Compound,C1CC(CCC1C(=O)O)O,HCFRWBBJISAZNK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
151152,D-threonic acid,OtherMutliCpd,Compound,C([C@H]([C@@H](C(=O)O)O)O)O,JPIJQSOTBSSVTP-GBXIJSLDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
151171,Conivaptan,Drug,Compound,CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6,IKENVDNFQMCRTR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,Benzanilides,none,none,none,none,none
151187,o-phosphohomoserine,OtherMutliCpd,Compound,C(COP(=O)(O)O)[C@@H](C(=O)O)N,FXDNYOANAXWZHG-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
151199,2-(4-Methoxyphenoxy)propanoic acid,OtherMutliCpd,Compound,CC(C(=O)O)OC1=CC=C(C=C1)OC,MIEKOFWWHVOKQX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,2-phenoxypropionic acids,Alkyloxyphenoxypropionic acids,none,none,none,none,none,none
151223,Estriol 3-sulfate 16-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O,ATNWFRGUDKUYOG-SUPAOECSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
151228,4-Pyridoxolactone,OtherMutliCpd,Compound,CC1=NC=C2COC(=O)C2=C1O,HHPDVQLBYQFYFA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
151252,4-Hydroxybenzoylcholine,OtherMutliCpd,Compound,C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)O,BAPAICNRGIBFJT-UHFFFAOYSA-O,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
151261,D-ribulose,OtherMutliCpd,Compound,C([C@H]([C@H](C(=O)CO)O)O)O,ZAQJHHRNXZUBTE-NQXXGFSBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
151276,Homovanillin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC=O)O,GOQGGGANVKPMNH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
151453,Estriol 17-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@@H]3[C@@H]([C@H]1C[C@H]([C@@H]2OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=C3C=CC(=C5)O,CZGFLAQOJPXVRV-GITAKMRZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
151467,"4'	5'-Dihydropsoralen",OtherMutliCpd,Compound,C1COC2=C1C=C3C=CC(=O)OC3=C2,VXGRJERITKFWPL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
151503,"4	8	12-Trimethyltridecanoic acid",OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCC(=O)O,FUYCAQNCWDAOLQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
151529,Schisantherin A,OtherMutliCpd,Compound,C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3,UFCGDBKFOKKVAC-DSASHONVSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
151564,59132-30-8,OtherMutliCpd,Compound,C1C(NC(C2=C1C3=CC=CC=C3N2)C(=O)O)C(=O)O,ZWMZDKZTZLGVRQ-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
151590,Tellimagrandin II,OtherMutliCpd,Compound,C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O,JCGHAEBIBSEQAD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
151725,"3	4-Dihydroxymandelaldehyde",OtherMutliCpd,Compound,C1=CC(=C(C=C1C(C=O)O)O)O,YUGMCLJIWGEKCK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
151730,5-Hydroxypipecolic acid,OtherMutliCpd,Compound,C1CC(NCC1O)C(=O)O,RKEYKDXXZCICFZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
151913,3-Hydroxyadipic acid,OtherMutliCpd,Compound,C(CC(=O)O)C(CC(=O)O)O,YVOMYDHIQVMMTA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
151922,12-Phenyldodecanoic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCCCCCCCCCC(=O)O,IXEHFJJSVBVZHI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
152059,"beta	gamma-Dihydrovitamin K1",OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)CCC(C)CCCC(C)CCCC(C)CCCC(C)C,XOQNYHSBHIIJMQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
152070,64283-16-5,OtherMutliCpd,Compound,CCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CO,BHAZGBKRDPBLOD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Xanthines,none,none,none,none,none,none
152301,4-Methylene-L-proline,OtherMutliCpd,Compound,C=C1C[C@H](NC1)C(=O)O,PEYQZZMUNYLHII-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
152304,Gulonic acid,OtherMutliCpd,Compound,C([C@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O,RGHNJXZEOKUKBD-KKQCNMDGSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
152314,N-Acetylcystathionine,OtherMutliCpd,Compound,CC(=O)NC(CSCC[C@@H](C(=O)O)N)C(=O)O,QWACVTVBTRSCRL-PKPIPKONSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
152323,Phenylpropionylglycine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)NCC(=O)O,YEIQSAXUPKPPBN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
152424,Thyroxine glucuronide,OtherMutliCpd,Compound,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)I)I)C[C@@H](C(=O)O)N,RGHRJBIKIYUHEV-SGPDEFQSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
152430,5-demethylsinensetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC,QEWSAPKRFOFQIU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
152432,"5-[(3	4-dihydroxyphenyl)methyl]oxolan-2-one",OtherMutliCpd,Compound,C1CC(=O)OC1CC2=CC(=C(C=C2)O)O,ZNXXWTPQHVLMQT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
152459,Ethyladipic acid,OtherMutliCpd,Compound,CCC(CCCC(=O)O)C(=O)O,FANBESOFXBDQSH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
152838,Mollicellin A,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3)(C)C)C)C=O)O,UGFXPOLXTFFCRX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
152839,mollicellin B,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C=C4C(=C3C)C(=O)CC(O4)(C)C)C=O)O,OMOOHFQAZTVBPK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
152840,Mollicellin D,OtherMutliCpd,Compound,CC1=C2C(=CC(=C1CC=C(C)C)O)OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)CO,AINFZKIGIQBKDM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
152971,17-Hydroxypregnenolone sulfate,OtherMutliCpd,Compound,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C)O,OMOKWYAQVYBHMG-QUPIPBJSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
152990,3-Deoxyarabino-hexonic acid,OtherMutliCpd,Compound,C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O,YGMNHEPVTNXLLS-VAYJURFESA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
153005,Tyramine O-sulfate,OtherMutliCpd,Compound,C1=CC(=CC=C1CCN)OS(=O)(=O)O,DYDUXGMDSXJQFT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
153009,mollicellin H,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C(C=C3O2)O)CC=C(C)C)C)C=O)O,FMQCQXQSBWELFR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
153016,CCRIS 5153,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)N.C=C.[Cl-].[Cl-].[Pt+2],UZALWMBGSHPKOY-UHFFFAOYSA-L,none,none,none,none,none,none,none,none,none,none,none
153311,scopolamine,Drug,Compound,CN1[C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4,STECJAGHUSJQJN-MKXJHAPZSA-N,none,none,none,none,none,none,none,none,none,none,none
153910,Virolongin B,OtherMutliCpd,Compound,CC(CC1=CC(=C(C(=C1)OC)OC)OC)OC2=C(C=C(C=C2OC)CC=C)OC,ZOPUPXKPXCSWAE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
153921,gadodiamide,Drug,Compound,CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],HZHFFEYYPYZMNU-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
153941,Entecavir,Drug,Compound,C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N,QDGZDCVAUDNJFG-FXQIFTODSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Nucleoside and nucleotide analogues,none,Nucleoside and nucleotide analogues,none,none,none,none,none,none
153950,AC1L4BF0,OtherMutliCpd,Compound,CCC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)CNC(=O)S,BYDCFODSZSHTDG-PASQLDBJSA-N,none,none,none,none,none,none,none,none,none,none,none
154035,p-Cresol glucuronide,OtherMutliCpd,Compound,CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,JPAUCQAJHLSMQW-XPORZQOISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
154083,BDE No 100 solution,OtherMutliCpd,Compound,C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)Br,NSKIRYMHNFTRLR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Bromodiphenyl ethers,none,none,none,none,none,none
154100,Focalin,Drug,Compound,COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC=CC=C2.Cl,JUMYIBMBTDDLNG-OJERSXHUSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
154186,Deterrol,OtherMutliCpd,Compound,CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)CO,UELYVRHCROBZCL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
154417,L-Hyoscyamine,Drug,Compound,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3,RKUNBYITZUJHSG-VFSICIBPSA-N,Organic compounds,Alkaloids and derivatives,Tropane alkaloids,none,Tropane alkaloids,none,none,none,none,none,none
154686,CCRIS 6925,OtherMutliCpd,Compound,CC1=NC2=C(C3=C(C=C2N=C1)N=C(N3C)N)C,ZSISUTCDDLFJLH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
155008,Aurasperone D,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)O)O)C(=O)C=C(O5)C)OC,DVSATZLPJVYIRI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
155248,Moracin C,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)C,ZTGHWUWBQNCCOH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
155380,70588-05-5,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)OC)OC)OC)O,CFLNHFUPWNRWJA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
155381,Chrysoobtusin,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)OC)OC)OC)OC)O,ZMDXTRSTKHTSCE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
155461,"5-henicosylbenzene-1	3-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,BLHLKJLSYHEOGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
155462,"5-tricosylbenzene-1	3-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,OHTBGMREZYLZQD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
155463,"5-pentacosylbenzene-1	3-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,GDJMJAKVVSGNLA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
155493,Sideritoflavone,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1OC)OC)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O,UWNUJPINKMRKKR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
155577,Cynaratriol,OtherMutliCpd,Compound,C[C@H]1[C@@H](C[C@H]2[C@@H]1[C@H]3[C@H](CCC2=C)[C@](C(=O)O3)(CO)O)O,OHBHGGYGWZIWCX-VCSRPQGHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Guaianolides and derivatives,none,none,none,none,none
155791,14-Hydroxycaryophyllene oxide,OtherMutliCpd,Compound,CC12CCC3C(CC3(C)CO)C(=C)CCC1O2,XLKXIWMHACWINL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
155795,Naphthyridylmethylketone,OtherMutliCpd,Compound,CC(=O)C1=NC=C2C=NC=CC2=C1,VBBXXOOMKKQNNS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Naphthyridines,Naphthyridines,none,none,none,none,none,none
155976,moracin I,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C=C1C2=CC3=C(O2)C=C(C=C3)O)O)OC)C,MRJQFSZVXAESPR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
156051,(+)-Silymonin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O)O,YBGWTZSEYYMFJI-AXUSBXICSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cyclohexylphenols,Cyclohexylphenols,none,none,none,none,none,none
156052,Furapiole,OtherMutliCpd,Compound,CC1CC2=CC3=C(C(=C2O1)OC)OCO3,QHNWPNSDEURBAD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
156149,Kuwanon F,OtherMutliCpd,Compound,CC(=CCCC1(C=CC2=CC(=C(C=C2O1)O)C3CC(=O)C4=C(C=C(C=C4O3)O)O)C)C,FZAZNGMSARSUNC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
156150,1-Tritriacontanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,ZERSFCCIRKUIFX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
156221,"1-(2	2-dimethylchromen-6-yl)ethanol",OtherMutliCpd,Compound,CC(C1=CC2=C(C=C1)OC(C=C2)(C)C)O,ICIIMFRGWJJFIH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
156269,Loquatoside,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2C(C3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O)O)O)O)O,YISJRMFABYGQSX-NUVGQASKSA-N,none,none,none,none,none,none,none,none,none,none,none
156288,4-Oxononanal,OtherMutliCpd,Compound,CCCCCC(=O)CCC=O,MGOKSQNXXRPCMD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
156391,NAPROXEN,Drug,Compound,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,CMWTZPSULFXXJA-VIFPVBQESA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
156431,Celerin,OtherMutliCpd,Compound,CC(C)(C=C)C1=CC(=C(C2=C1C=CC(=O)O2)O)OC,KATNIMBVOAPAGX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
156517,Nectandrin B,OtherMutliCpd,Compound,C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C,GMXMKSFJQLFOSO-JARDSOJUSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--7'-epoxylignans,none,none,none,none,none,none
156580,Pokeberrygenin,OtherMutliCpd,Compound,C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC,XINANDRKNJRDBH-KSJJSBHMSA-N,none,none,none,none,none,none,none,none,none,none,none
156743,Isoferreirin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)O)O,VODZWHSRITUHNI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,2'-O-methylated isoflavonoids,none,none,none,none,none,none
156777,Cyclokievitone,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C(CO3)C4=C(C=C(C=C4)O)O)C,AWLFGFDTGPLHKG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
156783,Graecunin E,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)O)C)C)C)OC1,QBFOXISCLSPTBT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
156784,GRAECUNIN G,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)OC1,CLTHDRYPLHEQEI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
157059,"4H-Dibenzo(de	g)quinoline-2	7-diol	 5	6	6a	7-tetrahydro-1-methoxy-	 (6aS	7R)-",OtherMutliCpd,Compound,COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4[C@H]3O)O,QDXOCDFPAQQYKD-JKSUJKDBSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,Hydroxy-7-aporphines,Hydroxy-7-aporphines,none,none,none,none,none,none
157129,AC1L4HFH,OtherMutliCpd,Compound,C[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C,POJZOQWVMMYVBU-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
157209,"6	7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1	2	3	4-tetrahydroisoquinolin-5-ol",OtherMutliCpd,Compound,COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3CCN2)O)OC)OC,SQMUQBYKHDACDD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
157218,78478-27-0,OtherMutliCpd,Compound,COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3CCN2)OC)OC)OC,CMQSBRRTRZPLHE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
157241,78693-93-3,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC([C@@H]([C@@H]2O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)(C)C)C,QSWYVJWAKZGGIL-ISQBHCSUSA-N,none,none,none,none,none,none,none,none,none,none,none
157242,AC1L4HNF,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C,XFXHYKZIZSNVSQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
157395,Stachyurin,OtherMutliCpd,Compound,C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,MMQXBTULXAEKQE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
157840,Ustiloxin D,OtherMutliCpd,Compound,CC[C@@]1([C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C2=CC(=C(C=C2)O)O1)O)NC)C(C)C)C(=O)NCC(=O)O)C,GDXLZSYACWZHOC-ZNRYNLAGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
157841,Ustiloxin C,OtherMutliCpd,Compound,CCC1(C(NC(=O)C(NC(=O)C(C(C2=CC(=C(C=C2S(=O)CCO)O)O1)O)NC)C)C(=O)NCC(=O)O)C,GLUWKRSBTMPQNR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
157920,Lubiprostone,Drug,Compound,CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F,WGFOBBZOWHGYQH-MXHNKVEKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
157921,79416-27-6,Drug,Compound,COC(=O)CCC(=O)CN.Cl,UJYSYPVQHFNBML-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Delta amino acids and derivatives,none,none,none,none,none
157953,Triphasiol,OtherMutliCpd,Compound,CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC(C(C)(C)O)O,DMSHDRKZHASQRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
157989,AC1L4J2B,OtherMutliCpd,Compound,C[C@]12CC[C@H](C([C@@H]1CCC(=C)[C@H]2COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)(C)C)O,QISGCNZPAGFKFT-ALWXHMJKSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
158227,82657-12-3,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,UWBKEKWTUMGDCN-QSUZLTIMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
158247,"8	14-Methano-2H	14H-1-benzopyrano(7	8-d)(1	3)benzodioxocin-3	5	11	13	15-pentol	 3	4-dihydro-2	8-bis(4-hydroxyphenyl)-	 (2R	3R	8R	14S	15S)-",OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C3[C@H]4C([C@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC=C(C=C6)O)O)C7=CC=C(C=C7)O)O,LQRHGTVFFPMWCG-DFRNNGSQSA-N,none,none,none,none,none,none,none,none,none,none,none
158253,AC1L4JLN,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C,PPWWANBMWAQXLQ-FZARMGOESA-N,none,none,none,none,none,none,none,none,none,none,none
158254,82793-03-1,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C,OKIHRVKXRCAJFQ-BFZUPASMSA-N,none,none,none,none,none,none,none,none,none,none,none
158564,Talaromycin A,OtherMutliCpd,Compound,CC[C@@H]1CC[C@@]2(C[C@@H]([C@@H](CO2)CO)O)OC1,VDWRKBZMQNPUOB-WISYIIOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Acetals,Ketals,none,none,none,none,none
158569,Talaromycin B,OtherMutliCpd,Compound,CC[C@@H]1CC[C@@]2(C[C@@H]([C@H](CO2)CO)O)OC1,VDWRKBZMQNPUOB-NOOOWODRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Acetals,Ketals,none,none,none,none,none
158739,2-Methoxystypandrone,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=O)C(=CC2=O)OC)O)C(=O)C,SSHJHOVVYKCJJI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
158786,AC1L4KM1,Drug,Compound,COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC,USXHAXIQRPGYFX-KRWDZBQOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
158946,AC1L4KWS,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@H]1CC(CC2)(C)C(=O)O)C,VVWRIMSHBALFKN-XFCCUOHHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
159085,"beta-D-Glucopyranoside	 (3beta	7beta	9beta	10alpha	16beta)-7-methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5	24-dien-16-yl	 6-acetate",OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O,PEVRNEDRRNBORS-DXOZOBJKSA-N,none,none,none,none,none,none,none,none,none,none,none
159119,87585-32-8,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)[C@@H]2C([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)[C@@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC,BHUDUKVACMWCFA-RFIMIYBGSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
159238,beta-Pyrufuran,OtherMutliCpd,Compound,COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)O)OC,XLCIGBDZQKRLPH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
159239,alpha-Pyrufuran,OtherMutliCpd,Compound,COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)OC)O,LZNMTWGKSPOPIR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
159278,Salidroside,OtherMutliCpd,Compound,C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,ILRCGYURZSFMEG-RKQHYHRCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
159296,"adenosine 3'	5'-bisphosphate",OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O,WHTCPDAXWFLDIH-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside bisphosphates,Purine ribonucleoside 3'--5'-bisphosphates,none,none,none,none,none
159360,Apigeninidin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O.[Cl-],GYQDOAKHUGURPD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
159630,D-glucosone,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H](C(=O)C=O)O)O)O)O,DCNMIDLYWOTSGK-HSUXUTPPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
159650,Pteleine,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)N=C3C(=C2OC)C=CO3,ALLQMEDAYDKMIO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Furanoquinolines,Furanoquinolines,none,none,none,none,none,none
159663,Androsterone sulfate,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)O,ZMITXKRGXGRMKS-HLUDHZFRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
159664,2-Oxohexanoic acid,OtherMutliCpd,Compound,CCCCC(=O)C(=O)O,XNIHZNNZJHYHLC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
159727,C42H72O13,OtherMutliCpd,Compound,CC(=CCC[C@@](C)([C@@H]1CC[C@]2([C@@H]1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)CO)O)C)O)C)O)C,VXIVCXOKABMNOW-MLLGVTEASA-N,none,none,none,none,none,none,none,none,none,none,none
159983,Trp-fru,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,RZJHOCXJFBBOAY-LCGIIJARSA-N,none,none,none,none,none,none,none,none,none,none,none
160130,"1	7-Dimethylguanosine",OtherMutliCpd,Compound,CN1C=[N+](C2=C1C(=O)N(C(=N2)N)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)[O-],AISVAXNALHBFPC-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
160142,Miltirone,OtherMutliCpd,Compound,CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O,FEFAIBOZOKSLJR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Tanshinones-- isotanshinones-- and derivatives,none,none,none,none,none,none
160179,Perlolyrine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO,KFUCYPGCMLPUMT-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
160237,Cirsiliol,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC,IMEYGBIXGJLUIS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
160238,Chikusetsusaponin V,OtherMutliCpd,Compound,C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O,NFZYDZXHKFHPGA-BPQKMSRTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
160254,Cryptotanshinone,OtherMutliCpd,Compound,C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C,GVKKJJOMQCNPGB-JTQLQIEISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Tanshinones-- isotanshinones-- and derivatives,none,none,none,none,none,none
160263,(R)-Rhazinilam,OtherMutliCpd,Compound,CCC12CCCN3C1=C(C=C3)C4=CC=CC=C4NC(=O)CC2,VLQAFTDOIRUYSZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,none,none,Benzenoids,none,none,none,none,none,none
160437,Argininic acid,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)O)CN=C(N)N,BMFMQGXDDJALKQ-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Delta amino acids and derivatives,none,none,none,none,none
160471,2-Methyl-3-hydroxybutyric acid,OtherMutliCpd,Compound,CC(C(C)O)C(=O)O,VEXDRERIMPLZLU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
160495,AC1L4NPY,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC([C@H]([C@H]5O)O)(C)C)C)C)C)(C)CO)O,CDDWAYFUFNQLRZ-POFPXMCLSA-N,none,none,none,none,none,none,none,none,none,none,none
160496,gamma-Chaconine,OtherMutliCpd,Compound,C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C,IDGKMGZVTKHZDA-QDFBTNNKSA-N,none,none,none,none,none,none,none,none,none,none,none
160499,Cortolone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O,JXCOSKURGJMQSG-AZQJGLEESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
160502,Actinodaphnine,OtherMutliCpd,Compound,COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O,VYJUHRAQPIBWNV-LBPRGKRZSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
160520,Trihydroxycoprostane,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,RIVQQZVHIVNQFH-XJZYBRFWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
160521,Isolariciresinol,OtherMutliCpd,Compound,COC1=C(C=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O,OGFXBIXJCWAUCH-KPHUOKFYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Aryltetralin lignans,9--9p-dihydroxyaryltetralin lignans,9--9p-dihydroxyaryltetralin lignans,none,none,none,none,none,none
160530,3-Epideoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C,KXGVEGMKQFWNSR-OFYXWCICSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
160544,Oxypeucedanin,OtherMutliCpd,Compound,CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C,QTAGQHZOLRFCBU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
160556,saccharopine,OtherMutliCpd,Compound,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
160562,3-Hydroxy-4-methoxyphenylacetic acid,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC(=O)O)O,BWXLCOBSWMQCGP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
160596,Fonsecin B,OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)OC)OC)O,ZYTKFYQKQVYVMW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
160611,4-Hydroxybenzyl isothiocyanate,OtherMutliCpd,Compound,C1=CC(=CC=C1CN=C=S)O,ATKWJXUJUNLTFU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
160617,Orotidylic acid,OtherMutliCpd,Compound,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,KYOBSHFOBAOFBF-XVFCMESISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine ribonucleotides,Pyrimidine ribonucleoside monophosphates,none,none,none,none,none,none
160637,Vanillactic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(C(=O)O)O)O,SVYIZYRTOYHQRE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
160638,Estriol-3-glucuronide,OtherMutliCpd,Compound,C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,UZKIAJMSMKLBQE-WTSDUJKYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
160645,beta-Mercaptolactate,OtherMutliCpd,Compound,C(C(C(=O)O)O)S,OLQOVQTWRIJPRE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
160663,beta-Ureidoisobutyric acid,OtherMutliCpd,Compound,CC(CNC(=O)N)C(=O)O,PHENTZNALBMCQD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic carbonic acids and derivatives,Ureas,Ureas,none,none,none,none,none,none
160666,SAICAR,OtherMutliCpd,Compound,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O,NAQGHJTUZRHGAC-ZZZDFHIKSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole ribonucleosides and ribonucleotides,1-ribosyl-imidazolecarboxamides,1-ribosyl-imidazolecarboxamides,none,none,none,none,none,none
160706,Aldosterone 18-glucuronide,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CCC3C2[C@H]4CC5(C3CC[C@@H]5C(=O)CO)C(O4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,OMRIQCUHVVBJKI-ACOLCOCVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
160756,Angelical,OtherMutliCpd,Compound,COC1=C(C=C2C=CC(=O)OC2=C1)C=O,JZYCZVLVWUCHTP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
160799,Cedrelanol,OtherMutliCpd,Compound,CC1=C[C@H]2[C@@H](CC[C@]([C@@H]2CC1)(C)O)C(C)C,LHYHMMRYTDARSZ-XQLPTFJDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
160873,"D-Xylose	 4-O-beta-D-xylopyranosyl-",OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O,SQNRKWHRVIAKLP-RSZZQXBVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
160875,(-)-ASIMILOBINE,OtherMutliCpd,Compound,COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O,NBDNEUOVIJYCGZ-CYBMUJFWSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
160913,Glycineamide ribonucleotide,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)(O)O,OBQMLSFOUZUIOB-SHUUEZRQSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Glycinamide ribonucleotides,none,Glycinamide ribonucleotides,none,none,none,none,none,none
160921,Nevadensin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC,KRFBMPVGAYGGJE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
161166,L-kynurenine,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N,YGPSJZOEDVAXAB-QMMMGPOBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
161223,Pglcua,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,QFUQXEVPTHAOHS-SXFAUFNYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
161234,Nicotinate D-ribonucleoside,OtherMutliCpd,Compound,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O,PUEDDPCUCPRQNY-ZYUZMQFOSA-O,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
161255,Leucodopachrome,OtherMutliCpd,Compound,C1[C@H](NC2=CC(=C(C=C21)O)O)C(=O)O,JDWYRSDDJVCWPB-LURJTMIESA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids,none,none,none,none,none,none
161268,Methyl 4-chloroindolyl-3-acetate,OtherMutliCpd,Compound,COC(=O)CC1=CNC2=C1C(=CC=C2)Cl,SYPGJEURLIGNPE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indole-3-acetic acid derivatives,none,none,none,none,none,none
161271,Salvigenin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O,QCDYOIZVELGOLZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
161273,"13	14-Dihydro-PGE1",OtherMutliCpd,Compound,CCCCC[C@@H](CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O,DPOINJQWXDTOSF-DODZYUBVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
161306,Ginkgoneolic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,VEPUCZUJLKAVNM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
161337,2-Mtia,OtherMutliCpd,Compound,CC(=CCNC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)SC)C,VZQXUWKZDSEQRR-SDBHATRESA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
161466,t(6)a,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)O)NC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O,UNUYMBPXEFMLNW-DWVDDHQFSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
161500,Aminoimidazole ribotide,OtherMutliCpd,Compound,C1=C(N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,PDACUKOKVHBVHJ-XVFCMESISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
161557,Dihydromyricetin,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O,KJXSIXMJHKAJOD-LSDHHAIUSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
161566,"1	2-Propanediol	 3-(4-hydroxy-3-methoxyphenyl)-",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(CO)O)O,QGFJORGLNPWXMK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
161712,Homocysteinesulfinic acid,OtherMutliCpd,Compound,C(CS(=O)O)C(C(=O)O)N,PDNJLMZEGXHSCU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
161739,Lupenyl palmitate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)C(=C)C)C,BWXDHBQGBNPJMN-VBHWJLTNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
161748,Myricanone,OtherMutliCpd,Compound,COC1=C(C(=C2CCCCC(=O)CCC3=CC(=C(C=C3)O)C1=C2)O)OC,ZTSNTUQTNQSIDC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Cyclic diarylheptanoids,Meta--meta-bridged biphenyls,none,none,none,none,none,none
161800,Glycyrrhetic Acid 3-O-Glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O,HLDYLAJAWSKPFZ-QDPIGISRSA-N,none,none,none,none,none,none,none,none,none,none,none
161816,Hydroxysitosterol,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C(C)C,SXJVFYZNUGGHRG-GDDJFQTCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
161819,1-Ipomeanol,OtherMutliCpd,Compound,CC(=O)CCC(C1=COC=C1)O,IGGLYMZTLQKWGT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
161823,Madecassoside,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O,BNMGUJRJUUDLHW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
161858,"5-nonadecylbenzene-1	3-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,PUNOCEUUYUXUGR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
161871,FUKIIC ACID,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@@]([C@@H](C(=O)O)O)(C(=O)O)O)O)O,PHFSBARLASYIFM-LDYMZIIASA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
161875,2-Dodecylcyclobutanone,OtherMutliCpd,Compound,CCCCCCCCCCCCC1CCC1=O,VVKRFZDUZMLMQM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
161899,Dehydroroemerine,OtherMutliCpd,Compound,CN1CCC2=CC3=C(C4=C2C1=CC5=CC=CC=C54)OCO3,YUWBTKIVDAWQHK-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
161937,Capsidiol,OtherMutliCpd,Compound,C[C@@H]1[C@@H](C[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O)O,BXXSHQYDJWZXPB-OKNSCYNVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
162084,Medicagenic acid-3-O-glucopyranoside,OtherMutliCpd,Compound,C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H](C3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C,XCHARIIIZLLEBL-GHKSOYFMSA-N,none,none,none,none,none,none,none,none,none,none,none
162104,1-O-alpha-D-Glucopyranosyl-D-fructose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O,NMELTECMHKKXLF-DGQJZECASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
162184,63187-91-7,OtherMutliCpd,Compound,CC1CCC(C2(C1)OCC(O2)CO)C(C)C,ZBJCYZPANVLBRK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
162392,9-Decenal,OtherMutliCpd,Compound,C=CCCCCCCCC=O,AKMSQWLDTSOVME-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
162401,Degalactotigonin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1,BJNQXJIQCPPOHN-NUKVSUKUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
162458,Methyl N-formylanthranilate,OtherMutliCpd,Compound,COC(=O)C1=CC=CC=C1NC=O,HRNPZFOYXWWMFL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
162464,Cirsilineol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O,VKOSQMWSWLZQPA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
162627,2-Methylbutyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCC(C)CC,MBZKQDXXFMITAC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
162699,"7H-Furo(3	2-g)(1)benzopyran-7-one	 4-methoxy-	 mixt. with 7H-furo(3	2-g)(1)benzopyran-7-one",OtherMutliCpd,Compound,COC1=C2C=CC(=O)OC2=CC3=C1C=CO3.C1=CC(=O)OC2=CC3=C(C=CO3)C=C21,IAMQACMBFNNMJC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
162741,"(2R	3S	4R	5R	6S)-2-(HYDROXYMETHYL)-6-{[(2R)-6-METHYL-2-[(2R	8R	11R	14S	15R	16S)-5	8	16-TRIHYDROXY-2	6	6	11	14-PENTAMETHYLTETRACYCLO[8.7.0.0(2)	?.0(1)(1)	(1)?]HEPTADECAN-14-YL]HEPT-5-EN-2-YL]OXY}OXANE-3	4	5-TRIOL",OtherMutliCpd,Compound,CC(=CCC[C@](C)([C@]1(CC[C@]2([C@H]1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O)O)C)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C,QLPKLNOLHUEWSE-TTWOHQMCSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
162933,"3	9-Dihydroxypterocarpan",OtherMutliCpd,Compound,C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O,ODMIEGVTNZNSLD-WFASDCNBSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
162952,Gingerdione,OtherMutliCpd,Compound,CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC,KMNVXQHNIWUUSE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiones,none,none,none,none,none,none
162960,Pentigetide,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,KQDIGHIVUUADBZ-PEDHHIEDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
163292,Frenolicin B,OtherMutliCpd,Compound,CCC[C@@H]1C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O,AVCPRTNVVRPELB-YRUZYCQGSA-N,Organic compounds,Phenylpropanoids and polyketides,Isochromanequinones,Benzoisochromanequinones,Benzoisochromanequinones,none,none,none,none,none,none
163744,Uralsaponin B,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C,KEIFOIQHFNUSQE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
163959,CHEBI:88735,OtherMutliCpd,Compound,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,ABOLXXZAJIAUGR-JPMMFUSZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
164146,Cassiaside,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C3C=CC=C(C3=C2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,SBVZTBIAKFTNIJ-CZNQJBLBSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranone glycosides,none,none,none,none,none,none
164173,7-Chloro-4-(2-(trifluoromethyl)phenoxy)quinoline,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(F)(F)F)OC2=C3C=CC(=CC3=NC=C2)Cl,MPKYZZCZMLSMAG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Diarylethers,none,none,none,none,none,none
164544,Peonidin chloride,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O.[Cl-],OGBSHLKSHNAPEW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
164615,"3	4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-benzopyran-1-one",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC3=C(C(=CC=C3)O)C(=O)O2)O,PBILBHLAPJTJOT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
164619,D-Pinitol,OtherMutliCpd,Compound,COC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O,DSCFFEYYQKSRSV-FEPQRWDDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
164628,deoxy-TDP,OtherMutliCpd,Compound,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O,UJLXYODCHAELLY-XLPZGREQSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine deoxyribonucleotides,Pyrimidine deoxyribonucleoside diphosphates,Pyrimidine 2'-deoxyribonucleoside diphosphates,none,none,none,none,none
164642,Betonicine,OtherMutliCpd,Compound,C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C,MUNWAHDYFVYIKH-RITPCOANSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
164672,Isodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C,ZHCAAZIHTDCFJX-QLEQUTGBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
164673,Isochenodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C,RUDATBOHQWOJDD-JGFDLHJZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
164709,Spectrum_001488,OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=C[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)C)C,OFNSUWBAQRCHAV-MFKHVKNHSA-N,none,none,none,none,none,none,none,none,none,none,none
164719,5-Hydroxykynurenamine,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)C(=O)CCN)N,JANBBPTXDKFOQR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
164795,N(6)-Methyllysine,OtherMutliCpd,Compound,CNCCCC[C@@H](C(=O)O)N,PQNASZJZHFPQLE-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
164838,Dihydrocortisol,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,ACSFOIGNUQUIGE-AIPUTVCKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
164853,Isolithocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C,SMEROWZSTRWXGI-WFVDQZAMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
164906,25-Azacholesterol,OtherMutliCpd,Compound,C[C@H](CCCN(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,RZPPEFJMRVRCDD-XSLNCIIRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Azasteroids and derivatives,25-azasteroids and derivatives,none,none,none,none,none,none
164939,Kojibiose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O,PZDOWFGHCNHPQD-OQPGPFOOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
164963,Magnesium ethoxide,OtherMutliCpd,Compound,CC[O-].CC[O-].[Mg+2],XDKQUSKHRIUJEO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
165067,delta-1-Piperidine-6-carboxylic acid,OtherMutliCpd,Compound,C1CC=NC(C1)C(=O)O,CSDPVAKVEWETFG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
165072,Coproporphyrin II,OtherMutliCpd,Compound,CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C)CCC(=O)O)C(=C4C)CCC(=O)O)C(=C3CCC(=O)O)C)CCC(=O)O,PLEQQUFEIPMIHA-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
165186,Diguanosine tetraphosphate,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N,OLGWXCQXRSSQPO-MHARETSRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
165217,Cholesterol Formate,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C,YEYCQJVCAMFWCO-PXBBAZSNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
165244,"(2|A	3|A	5xi	18|A)-2	3-dihydroxyurs-12-en-28-oic acid",OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@H]2[C@H]1C)C)C(=O)O,HFGSQOYIOKBQOW-MMNUXRFXSA-N,none,none,none,none,none,none,none,none,none,none,none
165271,L-histidinol,OtherMutliCpd,Compound,C1=C(NC=N1)C[C@@H](CO)N,ZQISRDCJNBUVMM-YFKPBYRVSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
165361,Aspartylysine,OtherMutliCpd,Compound,C(CCN)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N,QGNYWQOMJSTUQZ-BQBZGAKWSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
165388,Carboxyaminoimidazole ribotide,OtherMutliCpd,Compound,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,XFVULMDJZXYMSG-ZIYNGMLESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
165436,Lauroyl-coa,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,YMCXGHLSVALICC-GMHMEAMDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
165491,deamido-NAD,OtherMutliCpd,Compound,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)O,SENPVEZBRZQVST-HISDBWNOSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
165523,AC1L4WSU,OtherMutliCpd,Compound,CC(C(C(=O)C(C1CC2=C(C(=O)C1O)C(=C3C(=C2)C=C(C=C3O)O)O)OC)O)O,PIHTXGRVQBTVRE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
165527,5-L-Glutamylglycine,OtherMutliCpd,Compound,C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N,ACIJGUBIMXQCMF-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
165577,Leucrose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)[C@H]([C@@H](C(=O)CO)O)O)O)O)O)O,DXALOGXSFLZLLN-WTZPKTTFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
165620,phenylacetyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O,ZIGIFDRJFZYEEQ-CECATXLMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
165694,Legumin,OtherMutliCpd,Compound,CC1=C(C=CC(=C1)Cl)OCCCC(=O)[O-].C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)[O-].[Na+].[Na+],NEKNNCABDXGBEN-UHFFFAOYSA-L,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
166548,Anidulafungin,Drug,Compound,CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O,JHVAMHSQVVQIOT-MFAJLEFUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
166760,Faicar,OtherMutliCpd,Compound,C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N,ABCOOORLYAOBOZ-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole ribonucleosides and ribonucleotides,1-ribosyl-imidazolecarboxamides,1-ribosyl-imidazolecarboxamides,none,none,none,none,none,none
166761,1-deoxy-d-ribitol,OtherMutliCpd,Compound,C[C@@H]([C@@H]([C@@H](CO)O)O)O,FJGNTEKSQVNVTJ-LMVFSUKVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
166768,4-Hydroxymandelonitrile,OtherMutliCpd,Compound,C1=CC(=CC=C1C(C#N)O)O,HOOOPXDSCKBLFG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
167029,Spermic acid,OtherMutliCpd,Compound,C(CCNCCC(=O)O)CNCCC(=O)O,DGMOQCHIPOPXEK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
167093,1-(4-Hydroxyphenyl)-1-nonanone,OtherMutliCpd,Compound,CCCCCCCCC(=O)C1=CC=C(C=C1)O,JZBXYOOARNRUME-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
167551,ANACARDIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,ADFWQBGTDJIESE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
167572,Glycerylphosphoinositol,OtherMutliCpd,Compound,C(C(COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)O)O,BMVUIWJCUQSHLZ-LIPDPKNMSA-N,none,none,none,none,none,none,none,none,none,none,none
167627,7-Hydroxyoctanoic acid,OtherMutliCpd,Compound,CC(CCCCCC(=O)O)O,OFCMTSZRXXFMBQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
167685,22R-hydroxycholesterol,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,RZPAXNJLEKLXNO-GFKLAVDKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
167711,Coproporphyrin IV,OtherMutliCpd,Compound,CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CCC(=O)O)C)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O,POHWJGRQLRWYGL-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
167736,3'-Hydroxypapaverine,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)O,MTJSWIPYMFUEPW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
167758,18866-87-0,OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,NTIXPPFPXLYJCT-RUYUEJGQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
167888,7-Methylinosine,OtherMutliCpd,Compound,CN1C=[N+](C2=C1C(=O)N=CN2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O,VJNXUFOTKNTNPG-YNJARDAQSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
167918,Tetrahydroaldosterone-3-glucuronide,OtherMutliCpd,Compound,C[C@]12CCC(CC1CCC3C2[C@@H]4CC5(C3CC[C@@H]5C(=O)CO)C(O4)O)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,CGIURIOFMWUPSV-RUQPETGGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
167963,Mahanimbine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=CC=CC=C4N3)C=CC(O2)(C)CCC=C(C)C,HTNVFUBCWIYPJN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
168012,Lnfp II,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O,FKADDOYBRRMBPP-QKPOUJQKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
168165,Vescalagin,OtherMutliCpd,Compound,C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O,UDYKDZHZAKSYCO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
168408,Tauromuricholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,XSOLDPYUICCHJX-OEYGYFRSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
168414,Phyriaporphyrin,OtherMutliCpd,Compound,CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)C(=C3CC(=O)O)CCC(=O)O)CCC(=O)O,COSSFDPRQXSPBP-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
168708,Equilin sulfate,Drug,Compound,C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)[C@@H]1CCC2=O,YJBYRYVLFAUXBJ-HFTRVMKXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
168756,Pentacarboxylporphyrin I,OtherMutliCpd,Compound,CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O,YDYIPLSPVWGSRD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
168809,10-Formyldihydrofolate,OtherMutliCpd,Compound,C1C(=NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,UXFQDXABPXWSTK-ZDUSSCGKSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Dihydropteroic acids and derivatives,Dihydrofolic acids and derivatives,none,none,none,none,none
168836,Nordihydrocapsaicin,OtherMutliCpd,Compound,CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,VQEONGKQWIFHMN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
168847,4873-65-8,OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)OS(=O)(=O)O)C)O,UNURIUSTYBXRLV-HLUDHZFRSA-N,none,none,none,none,none,none,none,none,none,none,none
168876,Acyl SA glucuronide,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O,IXVVXKRKCLJCKA-UNLLLRGISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
168928,beta-Boswellic acid,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C,NBGQZFQREPIKMG-PONOSELZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
168938,Rheochrysin,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O,POMKXWCJRHNLRP-DQMLXFRHSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
168951,Tetrahymanol,OtherMutliCpd,Compound,C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)(C)C,BFNSRKHIVITRJP-VJBYBJRLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
169017,Erysodine,OtherMutliCpd,Compound,CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1,BDIVMECULLJBMU-KSSFIOAISA-N,Organic compounds,Alkaloids and derivatives,Erythrina alkaloids,Erythrinanes,Erythrinanes,none,none,none,none,none,none
169019,D-Threitol,OtherMutliCpd,Compound,C([C@H]([C@@H](CO)O)O)O,UNXHWFMMPAWVPI-QWWZWVQMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
169144,Bisisodiospyrin,OtherMutliCpd,Compound,CC1=CC(=C2C(=O)C=CC(=O)C2=C1C3=C(C=C4C(=O)C=C(C(=O)C4=C3O)C5=CC(=O)C6=CC(=C(C(=C6C5=O)O)C7=C8C(=O)C=CC(=O)C8=C(C=C7C)O)C)C)O,HIBRRCAYIWFCBY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
169148,SDMA,OtherMutliCpd,Compound,CNC(=NC)NCCC[C@@H](C(=O)O)N,HVPFXCBJHIIJGS-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Arginine and derivatives,none,none,none,none
169279,Diisopropyl-m-cresol,OtherMutliCpd,Compound,CC1=C(C=CC(=C1C(C)C)O)C(C)C,NAOSNNNYJHAZGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Cumenes,Cumenes,none,none,none,none,none,none
169485,3-Methylcrotonyl Glycine,OtherMutliCpd,Compound,CC(=CC(=O)NCC(=O)O)C,PFWQSHXPNKRLIV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
169539,"Isocoumarin	 3	4-dihydro-4	8-dihydroxy-3-methyl-",OtherMutliCpd,Compound,CC1C(C2=C(C(=CC=C2)O)C(=O)O1)O,STSOHAOGZMLWFR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,2-benzopyrans,2-benzopyrans,none,none,none,none,none,none
169586,2-O-Methylfucose,OtherMutliCpd,Compound,C[C@@H]([C@H]([C@H]([C@@H](C=O)OC)O)O)O,VCUILRLOJMHSMR-WNJXEPBRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
169591,S-Cysteinosuccinic acid,OtherMutliCpd,Compound,C(C(C(=O)O)SCC(C(=O)O)N)C(=O)O,XPKKFTKCRVIDAG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
169676,"1-(2	6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one",OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O,MDMCODCJMHTFIZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
169691,hexaglutamyl folate,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)N(C(=O)CC[C@@H](C(=O)O)N)[C@](C(=O)CC[C@@H](C(=O)O)N)(C(=O)OC(=O)CC[C@@H](C(=O)O)N)C(CC(=O)O)(C(=O)CC[C@@H](C(=O)O)N)C(=O)CC[C@@H](C(=O)O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,FWAQAOUHULVCBP-HCVVFSGQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
169727,Pteroside A,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C[C@@](C2=O)(C)CO)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,UTBLUTBCAVVCIO-HPCBLLCTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
169737,Pteroside Z,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)CC(C2=O)(C)C)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,QFXWNTWJLHHEKX-UVNCQSPWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
169785,Isocoproporphyrin,OtherMutliCpd,Compound,CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3C)CCC(=O)O)C,UHKZSWAPQUEURH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
169853,Procyanidin C1,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O,MOJZMWJRUKIQGL-XILRTYJMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
170361,Varenicline,Drug,Compound,C1C2CNCC1C3=CC4=NC=CN=C4C=C23,JQSHBVHOMNKWFT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzazepines,none,Benzazepines,none,none,none,none,none,none
170404,3-Methyleneindolenine,OtherMutliCpd,Compound,C=C1C=NC2=CC=CC=C12,BCNUXXXHEIUHJB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
170451,Isomhpg,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C(CO)O)O,FBDKAIYPFAFJHV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
170484,2-Fucosyllactose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)O,HWHQUWQCBPAQQH-BWRPKUOHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
170612,Aspartyl-proline,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O,UKGGPJNBONZZCM-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
170678,42753-71-9,OtherMutliCpd,Compound,CC1=C(C=CC(=N1)N)Br,SEOZHXRTVJPQPZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Aminopyridines and derivatives,Aminopyridines and derivatives,none,none,none,none,none,none
170748,5-Hydroxyhexanoic acid,OtherMutliCpd,Compound,CC(CCCC(=O)O)O,YDCRNMJQROAWFT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
170833,Isopulegol,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C,ZYTMANIQRDEHIO-KXUCPTDWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
171161,AFMK,OtherMutliCpd,Compound,CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O,JYWNYMJKURVPFH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
171181,3-O-Fucopyranosyl-2-acetamido-2-deoxyglucopyranose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O)O)O)O,YDWJUIXDZSJZHH-MYCHVAHWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
171292,"Daidzein-4	7-diglucoside",OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,VWEWSCDQMVNOJP-IPOZFMEPSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
171386,Cystathionine sulfoxide,OtherMutliCpd,Compound,C(CS(=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N,JNUGGJHCMRWUDV-FMMPLYQGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
171432,AC1L57I8,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C,OKIHRVKXRCAJFQ-ZYNCYBBUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
171488,Hymenoxin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)OC,QCOSAYZZNVASNN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
171541,Kentsin,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)N)O,OTAMFXXAGYBAQL-YXMSTPNBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
171763,Isoputreanine,OtherMutliCpd,Compound,C(CC(=O)O)CNCCCN,JUBNBYBUFCFLHB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
171769,Vestitone,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O,WQCJOKYOIJVEFN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
172198,ANGIOTENSIN II,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N,CZGUSIXMZVURDU-JZXHSEFVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
172675,6-Hydroxymellein,OtherMutliCpd,Compound,C[C@@H]1CC2=CC(=CC(=C2C(=O)O1)O)O,DHLPMLVSBRRUGA-RXMQYKEDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
172928,Permetin A,OtherMutliCpd,Compound,CCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CO)CC(C)C)C(C)C)CCN)CC(C)C)CC2=CC=CC=C2)CCN)C(C)CC)CCN,NPQJTPHMCZYCNP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
173312,(Methylthio)methyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCSC,NWSZEYNCLKNLMJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
173840,1-Pentene-2-ol,OtherMutliCpd,Compound,CCCC(=C)O,RTJBLRZRSVEQRH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Enols,Enols,none,none,none,none,none,none
174174,ATROPINE,Drug,Compound,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,RKUNBYITZUJHSG-PJPHBNEVSA-N,Organic compounds,Alkaloids and derivatives,Tropane alkaloids,none,Tropane alkaloids,none,none,none,none,none,none
174549,S-Methyl-5-thio-D-ribulose 1-phosphate,OtherMutliCpd,Compound,CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O,CNSJRYUMVMWNMC-RITPCOANSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Glycerone and derivatives,Glycerone phosphates,none,none,none,none
174859,Lapachenole,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2)OC)C,BFGQXXNDFKWDMA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
175553,"2	3-Dihydroxypropyl 5-hydroxydodecanoate",OtherMutliCpd,Compound,CCCCCCCC(CCCC(=O)OCC(CO)O)O,KCEQGTJBAICOKH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
175616,Guavin B,OtherMutliCpd,Compound,C1C2C([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)C4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O,RPZNIDVYYGUDPA-JRFUOTGDSA-N,none,none,none,none,none,none,none,none,none,none,none
175804,Ropivacaine hydrochloride,Drug,Compound,CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl,NDNSIBYYUOEUSV-RSAXXLAASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
176153,Melizame,OtherMutliCpd,Compound,C1=CC(=CC(=C1)OC2=NNN=N2)O,DZHBTQHPZSGDOR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Diarylethers,none,none,none,none,none,none
176456,Rutalinium,OtherMutliCpd,Compound,CC1(C(CC2=C(C3=C(C=CC(=C3)O)[N+](=C2O1)C)OC)O)C,YNZXAOOXQYAYLT-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
176471,Laxifloran,OtherMutliCpd,Compound,COC1=C(C=CC(=C1OC)O)C2CC3=C(C=C(C=C3)O)OC2,HHNUTZFOMIAQMX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,3'-O-methylated isoflavonoids,none,none,none,none,none,none
176496,Oryzalexin B,OtherMutliCpd,Compound,C[C@]1(CC[C@@H]2C(=C1)[C@H](C[C@H]3[C@]2(CCC(=O)C3(C)C)C)O)C=C,PXSLLXAAZWPICX-YMBUTIGBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
176535,Australigenin,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6,XLHFBXMTUNORSV-XLVIIDFLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
176870,Erlotinib,Drug,Compound,COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC,AAKJLRGGTJKAMG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,Quinazolinamines,none,none,none,none,none
176907,dihydrodaidzein,OtherMutliCpd,Compound,C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O,JHYXBPPMXZIHKG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
176920,Ourateacatechin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)O)O,ITDYPNOEEHONAH-UKRRQHHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
176974,AC1L42GU,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,RZCVGOHQLRNJKQ-CGISPIQUSA-N,none,none,none,none,none,none,none,none,none,none,none
177033,"2	4	6-Triphenyl-1-hexene",OtherMutliCpd,Compound,C=C(CC(CCC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3,VTFWGFWAVPVIAA-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
177040,Demethoxyencecalin,OtherMutliCpd,Compound,CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C,ZAJTXVHECZCXLH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
177050,(R)-(+)-2-Phenyl-1-propanol,OtherMutliCpd,Compound,C[C@@H](CO)C1=CC=CC=C1,RNDNSYIPLPAXAZ-QMMMGPOBSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
177106,20086-05-9,OtherMutliCpd,Compound,C[C@@]12C[C@@H](OC13C[C@@H]([C@H]4[C@H]2C[C@H](C[C@H]4C(=O)OC)O)OC3=O)C5=COC=C5,OPNWTAMLIMDKEY-QGILWXNYSA-N,none,none,none,none,none,none,none,none,none,none,none
177156,Archangelin,OtherMutliCpd,Compound,CC1=C(CCC(C1)(C)C)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4,NETRCGJRLNZPCW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
177212,Hebevinoside II,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)OC(=O)C)O)O)O)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O,RKJPAJOYCCHXQX-OLZOPSFVSA-N,none,none,none,none,none,none,none,none,none,none,none
177239,Congmuyenoside A,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)O)C,IIJRVKCBZJDXQK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
177258,Pseudomonine,OtherMutliCpd,Compound,CC1C(C(=O)N(O1)CCC2=CN=CN2)NC(=O)C3=CC=CC=C3O,XYEWTJQWOJBDBL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
177346,Macrocarpal I,OtherMutliCpd,Compound,CC(C)CC([C@@H]1CC[C@@]([C@H]2[C@]1(CC[C@H](C2)C(C)(C)O)C)(C)O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O,PXQFFMATXFLUPK-FBWULOCESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
177396,Jujuboside A1,OtherMutliCpd,Compound,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@](C[C@@H](O[C@@]78CC6([C@@]5(CC[C@H]4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O,KVKRFLVYJLIZFD-NULGCWPKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
177403,AC1L42Q6,OtherMutliCpd,Compound,C[C@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC(=O)[C@@H](C6)O)C)O)C)C)OC1,BTSHHJQHTVNSLW-YPEFDICRSA-N,none,none,none,none,none,none,none,none,none,none,none
177404,AC1L42Q7,OtherMutliCpd,Compound,C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(C[C@@H]([C@@H](C6)O)O)C)O)C)C)OC1,FYRLHXNMINIDCB-XCBLRSHOSA-N,none,none,none,none,none,none,none,none,none,none,none
177491,L-Homocysteic acid,OtherMutliCpd,Compound,C(CS(=O)(=O)O)[C@@H](C(=O)O)N,VBOQYPQEPHKASR-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
177583,TEMBAMIDE,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O,NICURWGAEFHESQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,none,none,none,none,none,none
177696,Acerosin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)O,BTMNGQCCCWTUQH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
177751,Graveolone,OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C,WEDGVCZUPFZNDE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
177968,Elatoside A,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C,DPXMETKXNWBGRI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
177985,Elatoside B,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O,YDZWHGJRWMQCDP-RPZIOYONSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
178118,Betavulgaroside III,OtherMutliCpd,Compound,C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O,GNCYMXULNXKROG-QOOHMOHJSA-N,none,none,none,none,none,none,none,none,none,none,none
178247,Sandosaponin A,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C,JTXVTHCLTOUSSL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
178810,DOPA sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)OS(=O)(=O)O)O,SWJDFMNJUOJVPA-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
178939,Eriobofuran,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O,IPAVEOUAXMIIKX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
178960,AC1L449W,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)O)(C)C)C)(C)CO)O,FAQHDLWADGCEMS-PLKKNJIASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
178979,AC1L44B5,OtherMutliCpd,Compound,CC(=O)[C@H]1CC(=O)C2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C,NKQOQQOOZLPVEV-JMQWJVDTSA-N,none,none,none,none,none,none,none,none,none,none,none
179334,Apadoline,OtherMutliCpd,Compound,CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2[C@H](C)CN4CCCC4,KXMAIWXPZGQNCR-QGZVFWFLSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazines,Phenothiazines,Phenothiazines,none,none,none,none,none,none
179399,FUROPINNARIN,OtherMutliCpd,Compound,CC(C)(C=C)C1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2,ZPLVEUIOSKJIDT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
179491,Norcorydine,OtherMutliCpd,Compound,COC1=C(C2=C(C[C@H]3C4=C2C(=C(C=C4CCN3)OC)O)C=C1)OC,HVMMFGYMZZVURQ-LBPRGKRZSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
179521,Aurasperone C,OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)OC)O)C(=O)CC(O5)(C)O)O)O,BAIJEJFONPISHA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
179522,Aurasperone B,OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)OC)O)C(=O)CC(O5)(C)O)OC)O,VIFQAHKDYKZMMS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
179605,( )-Isoxanthochymol,OtherMutliCpd,Compound,CC(=CC[C@@H]1CC23CC(C(OC2=C(C(=O)[C@@](C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)(C)C)CC=C(C)C)C,KXTNVBQRLRYVCO-FENCOQSXSA-N,none,none,none,none,none,none,none,none,none,none,none
179685,Isocarlinoside,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C3=C(C(=C2O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC(=CC3=O)C5=CC(=C(C=C5)O)O)O)O)O)O,WYYFCTVKFALPQV-WMRYYKKOSA-N,none,none,none,none,none,none,none,none,none,none,none
179794,melleolide D,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)CO)O)C,PSCSRVBGZZBKIW-IQEKTTGQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
180276,alpha-Amyrin tetratriacontanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C)C)C,JQGZKTFAYYVRDZ-ZZISAQBCSA-N,none,none,none,none,none,none,none,none,none,none,none
180314,Murrayazolinol,OtherMutliCpd,Compound,CC1=C2C3=C4C(=C1)C5=CC=CC=C5N4C(C6C3CC(O2)(C(C6)O)C)(C)C,SIYXICWJEWHFMI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Phenanthridines and derivatives,none,none,none,none,none,none
180441,"4-octylcyclopentane-1	3-dione",OtherMutliCpd,Compound,CCCCCCCCC1CC(=O)CC1=O,SKPOJVSKGJMOJV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,Beta-diketones,none,none,none,none,none
180482,AC1L478R,OtherMutliCpd,Compound,C[C@H]1[C@@H]2CC[C@]3([C@@H](CCC(=C)[C@]3([C@H]2OC1=O)O)O)C,CJLHTKGWEUGORV-UVGOUCATSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
180624,95120-07-3,OtherMutliCpd,Compound,CC(=O)C1=NC=C(N1)C(C(C(CO)O)O)O,CQSIXFHVGKMLGQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
180718,4-O-methylmelleolide,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)OC)C)O)O,GYCBSZGIYPNYAB-GNMVUSIZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
180965,Hebevinoside V,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)OC(=O)C)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O,AMBFYXVSRGPNHQ-XELSLTKESA-N,none,none,none,none,none,none,none,none,none,none,none
180967,Hebevinoside VIII,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)OC(=O)C)O)O)O)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)O)O,CASUNJDNTPMYBY-MYXCKKJYSA-N,none,none,none,none,none,none,none,none,none,none,none
180968,Hebevinoside IX,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)C)C)C)O,QQKQWCLXOKWADM-JKEHHSEUSA-N,none,none,none,none,none,none,none,none,none,none,none
180969,Hebevinoside X,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)C1[C@H](C[C@@]2([C@@]1(CC[C@@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O,RVSNXISMZROFAY-RRVVCHCFSA-N,none,none,none,none,none,none,none,none,none,none,none
180970,Hebevinoside XI,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)O)O,BDIZCZITXGMZCF-VLBBCCKOSA-N,none,none,none,none,none,none,none,none,none,none,none
180974,AC1L486K,OtherMutliCpd,Compound,C[C@@]12CCC3(CO1)[C@]4(C[C@H]5C[C@]4(OC3(C2)O5)CO)C,RGGZJNLZRGIMHQ-LRRPLVQKSA-N,none,none,none,none,none,none,none,none,none,none,none
181027,101705-37-7,OtherMutliCpd,Compound,CC(=O)CCC1=CC(=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,LMPCSMHAJDXHSV-IBEHDNSVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
181033,101770-14-3,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)C)C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)O)O,HXQKCVLHJXCOGN-AFPYEXPYSA-N,none,none,none,none,none,none,none,none,none,none,none
181132,7-Methylaromadendrin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O,LZLGHWHSUZVUFZ-JKSUJKDBSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
181196,"6beta	8beta-Dihydroxyeremophilenolide",OtherMutliCpd,Compound,C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C(=O)O[C@]3(C2)O)C)O)C,HOZOKRDCQVUMIA-BDUWQXIASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
181236,AC1L48NT,OtherMutliCpd,Compound,CCCOC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3)C,DNVBKAXQOJQGDY-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
181250,2-pentadecylfuran,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC1=CC=CO1,LSVQFJUSRLOULU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
181271,Batatasin IV,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O,IUMFLNFLJUUODE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
181281,AC1L48QZ,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](CC3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC,HSSJYSJXBOCKQM-SXJRTGLJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
181489,AC1L494E,OtherMutliCpd,Compound,CCCC(C=C=CC)[C@@]1(CO1)CCCCCCCC(=O)O,JPXQYMZHFPNEEI-HMOFXLRPSA-N,none,none,none,none,none,none,none,none,none,none,none
181538,6-Acetonyldihydrosanguinarine,OtherMutliCpd,Compound,CC(=O)CC1C2=C(C=CC3=C2OCO3)C4=C(N1C)C5=CC6=C(C=C5C=C4)OCO6,ONEHMWWDDDSJBB-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Benzophenanthridine alkaloids,Dihydrobenzophenanthridine alkaloids,Dihydrobenzophenanthridine alkaloids,none,none,none,none,none,none
181554,No_auto_id,OtherMutliCpd,Compound,C[C@@]12CC[C@]3(CCC(C[C@@H]3C1=CC[C@H]4[C@]2(C[C@H](C5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)(C)C)C(=O)O,IDQVFXZQPGAVAM-LNFSHTRFSA-N,none,none,none,none,none,none,none,none,none,none,none
181561,5-Methoxypyrrolidin-2-one,OtherMutliCpd,Compound,COC1CCC(=O)N1,VULIHENHKGDFAB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,Pyrrolidones,Pyrrolidine-2-ones,none,none,none,none,none,none
181580,38331-79-2,OtherMutliCpd,Compound,CC1=CC[C@@H](CC1)C(=C)CC(=O)C=C(C)C,LRDZCBICVMXPBB-AWEZNQCLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
181681,MEDIORESINOL,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC,VJOBNGRIBLNUKN-BMHXQBNDSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
181683,41060-01-9,OtherMutliCpd,Compound,CC1C[C@H]2C=C([C@H]([C@@](C2C(C1)C)(C)C(=O)CCO)C(=O)O)C,SFTQDPVLDKOILY-CSVHMLKNSA-N,none,none,none,none,none,none,none,none,none,none,none
181700,"5-heptadecylbenzene-1	3-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,BBGNINPPDHJETF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
181758,AC1L49MH,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)OC)(C)C)C)(C)CO)O,JAQZKPHHLRTVCY-LBVOPIFJSA-N,none,none,none,none,none,none,none,none,none,none,none
181842,Diosbulbinoside F,OtherMutliCpd,Compound,C[C@@]12C[C@H](OC(=O)[C@H]1CC(=C3[C@H]2C[C@H](C[C@H]3C(=O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=COC=C5,SVXOFPLAAYAGIG-NDDGLTBUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,none,none,none,none,none,none
181860,AC1L49TT,OtherMutliCpd,Compound,CN1C=CC(=CC1=O)C2=CC=[N+](C=C2)C,JJAUDUMTDBMCJW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Bipyridines and oligopyridines,Bipyridines and oligopyridines,none,none,none,none,none,none
181919,Valproylglycine,OtherMutliCpd,Compound,CCCC(CCC)C(=O)NCC(=O)O,QBKXUUNBNHZZPK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
181976,3-HYDROXYGLUTARIC ACID,OtherMutliCpd,Compound,C(C(CC(=O)O)O)C(=O)O,ZQHYXNSQOIDNTL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
181994,dalbergioidin,OtherMutliCpd,Compound,C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=C(C=C(C=C3)O)O,WNHXBLZBOWXNQO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
182008,30634-66-3,OtherMutliCpd,Compound,CC1CCC2=C(C=NC=C12)COC,ZRJLCVQCZVXUFB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
182049,Rutacultin,OtherMutliCpd,Compound,CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)OC)OC,IPLJDPYEDULBAK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
182053,Brein,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)O)C,VJFLMYRRJUWADI-DBHRHCOISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
182142,Cyperine,OtherMutliCpd,Compound,CC1=CC(=CC(=C1)OC2=C(C=C(C=C2C)OC)O)O,KXXZLMLLYMPYJE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
182232,(+)-Epicatechin,OtherMutliCpd,Compound,C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,PFTAWBLQPZVEMU-ZFWWWQNUSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
182249,Hemigossypolone,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C1=O)C(=C(C(=C2C=O)O)O)C(C)C,CERPPXZGSNEVMI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
182251,Oxyimperatorin,OtherMutliCpd,Compound,CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C,CTJZWFCPUDPLME-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
182277,Saxalin,OtherMutliCpd,Compound,CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)Cl,QPHPWCUVCZXUEP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
182622,"3-(1	1-Dimethylallyl)herniarin",OtherMutliCpd,Compound,CC(C)(C=C)C1=CC2=C(C=C(C=C2)OC)OC1=O,BTXKAWICQLJRID-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
182803,127136-45-2,OtherMutliCpd,Compound,C1CN(CCN1C2=CC=C(C=C2)NC3=CC=NC4=CC5=CC=CC=C5C=C34)C6=CC=C(C=C6)NC7=CC=NC8=CC9=CC=CC=C9C=C78,MOTWHBNVMGXDEA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Benzoquinolines,none,none,none,none,none,none
183142,2-heptadecylfuran,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC1=CC=CO1,ZDPKHSYNGVAHHN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
183311,Talaromycin E,OtherMutliCpd,Compound,CC[C@@H]1CCC2(C[C@H]([C@H](CO2)CO)O)OC1,VDWRKBZMQNPUOB-FBTJUVTCSA-N,none,none,none,none,none,none,none,none,none,none,none
183466,3'-Demethylnobiletin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O,XFYYZBJXMSDKCV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
183607,"1-(3-Chloro-4-fluorophenyl)-3-methylidenepyrrolidine-2	5-dione",OtherMutliCpd,Compound,C=C1CC(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl,GJJMDGGJIUDYNN-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
183905,"6	8-Di-C-beta-D-arabinopyranosyl apigenin",OtherMutliCpd,Compound,C1[C@H]([C@H]([C@@H]([C@@H](O1)C2=C(C3=C(C(=C2O)[C@H]4[C@H]([C@@H]([C@@H](CO4)O)O)O)OC(=CC3=O)C5=CC=C(C=C5)O)O)O)O)O,LDVNKZYMYPZDAI-DSSHJQBISA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
184116,Aristolodione,OtherMutliCpd,Compound,CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C(=O)C1=O,JGDZUWXHWYXMSD-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,4--5-dioxoaporphines,4--5-dioxoaporphines,none,none,none,none,none,none
184579,CYCLOBRASSININ,OtherMutliCpd,Compound,CSC1=NCC2=C(S1)NC3=CC=CC=C23,MVMVWNMQGBYIDM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
184877,Kuwanon L,OtherMutliCpd,Compound,CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O,ZEZOBFSLMMTYFF-HQSFFLIMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,3'-prenylated flavans,3'-prenylated flavanones,none,none,none,none,none
184974,Prunetin 5-glucoside,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,AJAGLPDYKVWJQE-RECXWPGBSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
184994,89885-86-9,OtherMutliCpd,Compound,CC[C@@H]1CCC2(C[C@H]([C@@H](CO2)CO)O)OC1,VDWRKBZMQNPUOB-KBIHSYGRSA-N,none,none,none,none,none,none,none,none,none,none,none
184999,AC1L4FZ8,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,SFCOOUKNSXBTFD-CKSGFJDPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
185053,90899-20-0,OtherMutliCpd,Compound,C=CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,DZMYOBBWRZTUTA-BMVMOQKNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
185310,"1	3	4-trimethoxydibenzofuran-2	7-diol",OtherMutliCpd,Compound,COC1=C(C(=C(C2=C1C3=C(O2)C=C(C=C3)O)OC)OC)O,KHGAPBYQBHBCBX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
185311,alpha-Cotonefuran,OtherMutliCpd,Compound,COC1=C(C=CC2=C1OC3=C(C(=C(C=C23)O)OC)OC)O,SHQNKPHNRFEQQD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
185438,Judeol,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)C)O)O)O,PTVABGVMGJFKGM-GHEGTYFOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
185477,alpha-Amyryl hexadecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C)C)C,BHPGRVQWTLDDQX-MYFXNNOVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
185617,Scutellarin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O,DJSISFGPUUYILV-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
185639,Tetratriacontan-1-ol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,OULAJFUGPPVRBK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
185667,"5	6	7	8-Tetrahydro-4-methylquinoline",OtherMutliCpd,Compound,CC1=C2CCCCC2=NC=C1,LGYCOYCCCKHXGC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Hydroquinolines,Hydroquinolines,none,none,none,none,none,none
185756,ISORUTARIN,OtherMutliCpd,Compound,CC(C)([C@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,QZUDEXAHKXCIDG-NUUDRHLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
185795,"2-(4-hydroxyphenyl)-3	4-dihydro-2h-chromene-4	5	7-triol",OtherMutliCpd,Compound,C1C(C2=C(C=C(C=C2OC1C3=CC=C(C=C3)O)O)O)O,RPKUCYSGAXIESU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-4-ols,none,none,none,none,none,none
185848,Moracin M,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O,LHPRYOJTASOZGJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
185893,dotriacontanal,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,NNZVKPZICXRDJI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
185914,Dihydroresveratrol,OtherMutliCpd,Compound,C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O,HITJFUSPLYBJPE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
185958,Vicenin-3,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O,MMDUKUSNQNWVET-MCIQUCDDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
186004,D-greenwald ester,OtherMutliCpd,Compound,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,XOHUEYCVLUUEJJ-UWTATZPHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
186702,"4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1	2-diol",OtherMutliCpd,Compound,CC1(CCC(CC1O)C(C)(C)O)O,KANCZQSRUGHECB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
186727,Gossyvertin,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=CC(=C2C=O)O)C(C)C)O)OC,WDKQNEBNLKMOLB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
187489,3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)O)OS(=O)(=O)O,UMCDODPBPQMWQP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
187790,2'-deoxyguanosine,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O,YKBGVTZYEHREMT-KVQBGUIXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,Purine 2'-deoxyribonucleosides,Purine 2'-deoxyribonucleosides,none,none,none,none,none,none
187898,Esculentic acid (Phytolacca),OtherMutliCpd,Compound,C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O,CLXOLTFMHAXJST-GOYMLYASSA-N,none,none,none,none,none,none,none,none,none,none,none
187917,57701-87-8,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)CCCO)O)O)O,KMYQEVOSRSCASE-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
188114,Aurasperone E,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C3=C(C=C(C=C3C(=C2O1)C4=C(C5=C(C6=C(C=C5C=C4OC)OC(CC6=O)(C)O)O)OC)OC)OC)O,XQLGSHUQZMPBGG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
188234,AC1L4MFI,OtherMutliCpd,Compound,CC1C(C(C(=CO1)C(=O)OC)CC(=O)O)C=O,MQFAJBBHEYTHKF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
188292,7-Ketodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,RHCPKKNRWFXMAT-RRWYKFPJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
188323,Cirsimaritin,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC,ZIIAJIWLQUVGHB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
188324,D-arabinose 5-phosphate,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H](C=O)O)O)O)OP(=O)(O)O,PPQRONHOSHZGFQ-WDCZJNDASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
188326,Diadenosine diphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H](O[C@@H]([C@@H]4O)N5C=NC6=C5N=CN=C6N)CO)O)O,FHISWBUCBBVWGG-SNESVTBZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(3'->5')-dinucleotides and analogues,(3'->5')-dinucleotides,(3'->5')-dinucleotides,none,none,none,none,none,none
188370,Momordin II,OtherMutliCpd,Compound,C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O,BAJBCZHVQXVBMJ-WFASKJANSA-N,none,none,none,none,none,none,none,none,none,none,none
188458,Kievitone hydrate,OtherMutliCpd,Compound,CC(C)(CCC1=C(C=C(C2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)O)O,QISUKJAAXYVLMA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
188587,AC1L4N3Y,OtherMutliCpd,Compound,C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C,ZOUJKJNUAOXJGL-ZHYZEVDTSA-N,none,none,none,none,none,none,none,none,none,none,none
188642,"1	3	3-trimethyl-2-oxabicyclo[2.2.2]octane-4	6-diol",OtherMutliCpd,Compound,CC1(C2(CCC(O1)(C(C2)O)C)O)C,PEWQMISWINPIPZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
188661,102092-23-9,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)C,OMAGQTXDHXASNM-RNNQDMPLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
188664,"(2r	4s	4ar	7as	7br)-4-hydroxy-3-(hydroxymethyl)-6	6	7b-trimethyl-2	4	4a	5	6	7	7a	7b-octahydro-1h-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate",OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)C)O)OC,KIBURFBDQVFUHO-ZXSIQIRYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
188847,Soyasaponin A3,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O,NQGDGFITHGCDAO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
188958,3-hydroxy-2-oxobutanoic acid,OtherMutliCpd,Compound,CC(C(=O)C(=O)O)O,QWZIITCYKKSZGN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
188979,2-Ethylhydracrylic acid,OtherMutliCpd,Compound,CCC(CO)C(=O)O,ZMZQVAUJTDKQGE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
189028,beta-Ketoisocaproic acid,OtherMutliCpd,Compound,CCC(=O)C(C)C(=O)O,QTLYPQZWYOHATR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
189065,Chrysosplenol C,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O,QQBSPLCHDUCBNM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
189087,n-(5-aminopentyl)acetamide,OtherMutliCpd,Compound,CC(=O)NCCCCCN,RMOIHHAKNOFHOE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Acetamides,none,none,none,none,none
189088,3-galactosyllactose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)O,KZZUYHVLNLDKLB-KZCWKWOXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
189122,S-Formylglutathione,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,FHXAGOICBFGEBF-BQBZGAKWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
189136,52301-43-6,OtherMutliCpd,Compound,CC1=C(C(=O)C2=NC3=C(NC(=O)NC3=O)N(C2=C1)C[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O)C,UEPZLIXOILSTAA-YBWNCORNSA-N,none,none,none,none,none,none,none,none,none,none,none
189151,Cepharadione B,OtherMutliCpd,Compound,CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)OC)C(=O)C1=O,AFKGBLKLNRDQFN-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,4--5-dioxoaporphines,4--5-dioxoaporphines,none,none,none,none,none,none
189156,gamma-Glutamylornithine,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N)CN,FCQBDQYWNGUTPD-BQBZGAKWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
189493,Melledonal C,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C,RCBZBPPFXBBNCD-IQEKTTGQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
189690,Brassilexin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=CNSC3=N2,YPQKRKAUPLJHDT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
190069,"(2S	3S	4S	5R	6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3	4	5-trihydroxyoxane-2-carboxylic acid",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,KYERCTIKYSSKPA-JHZZJYKESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
190618,melledonal A,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C)O)O,BYWJNFQCWYEWHX-KLMFUOAUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
191040,AT-308,OtherMutliCpd,Compound,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC=C3,KQUZJAMAMASQDO-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
191195,Phenethylamine glucuronide,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCN[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,OYNLGXUYULDVEJ-IEECTRCBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,N-glucuronides,none,none,none
191531,31982-10-2,OtherMutliCpd,Compound,C(CS(=O)(=O)CCC(C(=O)O)N)C(C(=O)O)N,CMACTJDDABKNPX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
191999,72040-61-0,OtherMutliCpd,Compound,C1=C2C(=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)O)O)O)O)N=CN=C2N,QIDBBNOURHTYHM-YDKVLQLQSA-N,none,none,none,none,none,none,none,none,none,none,none
192236,N-Acetyl-9-O-lactoylneuraminic acid,OtherMutliCpd,Compound,CC(C(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)O)O)O,XXNWSGSWDRDYLR-NVZZXFSUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
192406,Ternatin heptapeptide,OtherMutliCpd,Compound,CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N1)C(C(C)C)O)C)C)C)C)CC(C)C)CC(C)C)C)C)C,ZMFVAIFXJWEOMH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
192490,Uralene,OtherMutliCpd,Compound,CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C,QSIXTSXIETZHGN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,2'-prenylated flavones,none,none,none,none,none,none
192588,Periandrin V,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(CO5)O)O)O)C=O)CCC6C3(CCC7(C6=CC(CC7)(C)C(=O)O)C)C)C)C,OHGFKHHCPIGSKE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
192590,N-Acetyl poly-L-lysine,OtherMutliCpd,Compound,CC(=O)NC(CCCCN)C(=O)O,VEYYWZRYIYDQJM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
192735,"17alpha	21-Dihydroxypregnenolone",OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,JNHJGXQUDOYJAK-IYRCEVNGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
192737,ISOXAZOLIDIN-3-ONE,OtherMutliCpd,Compound,C1CONC1=O,QXDOFVVNXBGLKK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Oxazolidines,Oxazolidinones,none,none,none,none,none,none
192742,"2	4-Dihydroxybutanoic acid",OtherMutliCpd,Compound,C(CO)C(C(=O)O)O,UFYGCFHQAXXBCF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Short-chain hydroxy acids and derivatives,Short-chain hydroxy acids and derivatives,none,none,none,none,none,none
192796,Cyclohexaneundecanoic acid,OtherMutliCpd,Compound,C1CCC(CC1)CCCCCCCCCCC(=O)O,WFTPSUGFEZHCGU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
192878,N-Acetyl-5-oxo-L-norvaline,OtherMutliCpd,Compound,CC(=O)N[C@@H](CCC=O)C(=O)O,BCPSFKBPHHBDAI-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
193088,Tyramine glucuronide,OtherMutliCpd,Compound,C1=CC(=CC=C1CCN)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,AQKVISOBVPVACA-BYNIDDHOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
193089,AC1L4VKQ,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)CO)O)O)O)O,RXVWSYJTUUKTEA-UGJADZQISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
193125,"gamma-L-Glutaminyl-3	4-benzoquinone",OtherMutliCpd,Compound,C1=CC(=O)C(=O)C=C1N[C@@H](CCC(=O)N)C(=O)O,HDPGCJZQWYUKAO-ZETCQYMHSA-N,none,none,none,none,none,none,none,none,none,none,none
193190,Diguanosine diphosphate,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N,LFEYGVXBDRXHGF-MHARETSRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
193232,36238-44-5,OtherMutliCpd,Compound,CC1=C(N2C(=O)C3=C(N=CN3)N(C2=N1)C)CC(C(C(=O)OC)NC(=O)OC)OO,FRYWGCQTDZARGT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
193305,L-glutamate gamma-semialdehyde,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)N)C=O,KABXUUFDPUOJMW-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
193311,Gibberellin A1,OtherMutliCpd,Compound,C[C@]12[C@H](CCC3([C@@H]1[C@@H](C45[C@H]3CC[C@@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,JLJLRLWOEMWYQK-MCDMURCVSA-N,none,none,none,none,none,none,none,none,none,none,none
193317,"2	3	4-trihydroxy-3-(hydroxymethyl)butanal",OtherMutliCpd,Compound,C(C(CO)(C(C=O)O)O)O,AVGPOAXYRRIZMM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
193321,"5beta-Cholestane-3alpha	7alpha	12alpha	26-tetrol",OtherMutliCpd,Compound,C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,XJZGNVBLVFOSKJ-XZULNKEGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
193456,N-Acetylgalactosamine 6-sulfate,OtherMutliCpd,Compound,CC(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](COS(=O)(=O)O)O)O)O,NHZWETQZLORZIR-OSMVPFSASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide sulfates,none,none,none,none,none
193475,gamma-Glutamyl phosphate,OtherMutliCpd,Compound,C(CC(=O)OP(=O)(O)O)[C@@H](C(=O)O)N,PJRXVIJAERNUIP-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
193524,4alpha-Methylfecosterol,OtherMutliCpd,Compound,C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C,QLDNWJOJCDIMKK-XLFBYWHPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
193527,Diacetyl trimer,OtherMutliCpd,Compound,CC(=O)C1(CC2(C(O1)(OC(O2)(C)C(=O)C)C)O)C,TXTNKDRGVWKECN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Acetals,Ketals,none,none,none,none,none
193530,2-Hydroxyhexanedioic acid,OtherMutliCpd,Compound,C(CC(C(=O)O)O)CC(=O)O,OTTXIFWBPRRYOG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
193536,HCETC,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)SSCC(C(=O)O)O,MAFDYIDMXCXBRB-WUCPZUCCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,L-cysteine-S-conjugates,none,none,none
193537,beta-D-Fructose 2-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)O,PMTUDJVZIGZBIX-ZXXMMSQZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,C-glycosyl compounds,none,none,none,none,none
193538,19149-54-3,OtherMutliCpd,Compound,C[C@@H](C(=O)O)NC(C)C(=O)O,FIOHTMQGSFVHEZ-WUCPZUCCSA-N,none,none,none,none,none,none,none,none,none,none,none
193793,5-Me-Thf(glu)5,OtherMutliCpd,Compound,CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N(C(=O)CC[C@@H](C(=O)O)N)[C@](C(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)(C(=O)CC[C@@H](C(=O)O)N)C(=O)OC(=O)CC[C@@H](C(=O)O)N,WNRFVFOPCUPRFK-JPUKBXPDSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,none,none,none,none,none
193804,3-Hydroxyisoheptanoic acid,OtherMutliCpd,Compound,CC(C)CC(CC(=O)O)O,SCAWECGFPWPHAR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
193825,Harderoporphyrinogen,OtherMutliCpd,Compound,CC1=C2CC3C(=C(C(=N3)CC4C(=C(C(=N4)CC5=NC(CC(=C1CCC(=O)O)N2)C(=C5C)CCC(=O)O)C)C=C)C)CCC(=O)O,QTGZHJUSEYHULR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
193872,2-Methylbutyrylglycine,OtherMutliCpd,Compound,CCC(C)C(=O)NCC(=O)O,HOACIBQKYRHBOW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
193973,Ciltoprazine,OtherMutliCpd,Compound,CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)NC(=O)C3=C(C=CC(=C3)Cl)OC,IRAICTQDUFYXMD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,Phenylpiperazines,none,none,none,none,none,none
194024,2-Oxo-3-deoxygalactonic acid,OtherMutliCpd,Compound,C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O,WPAMZTWLKIDIOP-NQXXGFSBSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
194080,6-acetamido-2-oxohexanoic acid,OtherMutliCpd,Compound,CC(=O)NCCCCC(=O)C(=O)O,NGCXIFFZXAZRAF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
194158,1beta-Hydroxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2C(CC4[C@@]3(C(CC(C4)O)O)C)O)O)C,UYVVLXVBEQAATF-KBXJPTNGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
194197,(+)-BORNYL DIPHOSPHATE,OtherMutliCpd,Compound,C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OP(=O)(O)OP(=O)(O)O,VZPAJODTZAAANV-WEDXCCLWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
194340,Maysin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)O)C)O)O)O)O,GKLSYIMLZDYQBJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,none,none,none,none,none,none
194391,Pipermethystine,OtherMutliCpd,Compound,CC(=O)OC1CN(C(=O)C=C1)C(=O)CCC2=CC=CC=C2,JLNNQCUATONMIT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Hydropyridines,none,none,none,none,none,none
194485,Isoeruboside B,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)O)C)C)OC1,ZQEKBPUAGJKEQO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
194566,Apimaysin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)O)O)C)O)O)O)O,LCQVQAZLYBJMGJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,none,none,none,none,none,none
194573,3-Hydroxymugineic acid,OtherMutliCpd,Compound,C1[C@H]([C@H](N1C[C@@H]([C@@H](C(=O)O)NCC[C@@H](C(=O)O)O)O)C(=O)O)O,QPIOQLJXMZWNFJ-PQFOHKHZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
194637,Protoporphyrin IX dimethyl ester,OtherMutliCpd,Compound,CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C=C)C)C=C,LQBPATQBTSBIIH-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
195955,Gadusol,OtherMutliCpd,Compound,COC1=C(C(C(CC1=O)(CO)O)O)O,KENOUOLPKKQXMX-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
196202,Silenoside A,OtherMutliCpd,Compound,C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O,OYLAWXRQIJWVHG-PRYDOBOQSA-N,none,none,none,none,none,none,none,none,none,none,none
196216,Curlone,OtherMutliCpd,Compound,CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1,JIJQKFPGBBEJNF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
196245,Silenoside C,OtherMutliCpd,Compound,C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3([C@@H]([C@@H]([C@@H](C4)O)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O,IOJDAWSWQWSBHN-JRCWSXPQSA-N,none,none,none,none,none,none,none,none,none,none,none
196289,Silenoside B,OtherMutliCpd,Compound,C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O,YVHRNKWYKHUPFK-PTBVRURDSA-N,none,none,none,none,none,none,none,none,none,none,none
196302,27-Norcholestanehexol,OtherMutliCpd,Compound,C[C@H](CCC(C(CO)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,PYLPANOYZCSFOX-UCIVWCSPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
196509,N6-Methylagmatine,OtherMutliCpd,Compound,CN=C(N)NCCCCN,CEZLGLLDSAKBNX-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Guanidines,Guanidines,none,none,none,none,none,none
196512,5-Hydroxy-6-methoxyindole glucuronide,OtherMutliCpd,Compound,COC1=C(C=C2C=CNC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,MLRMPLSCFCMXGJ-DKBOKBLXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
196513,6-Hydroxy-5-methoxyindole glucuronide,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,NECCHCPFFUXUOB-DKBOKBLXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
196583,Mulberrofuran G,OtherMutliCpd,Compound,CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=C2C(=CC(=C5)C6=CC7=C(O6)C=C(C=C7)O)O)C8=C(C=C(C=C8)O)O,MJJWBJFYYRAYKU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
196810,Fasciculic acid A,OtherMutliCpd,Compound,C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(C[C@H]([C@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)O)O)C)C)C,VOAJMYUEWCGJID-WRHRTGNFSA-N,none,none,none,none,none,none,none,none,none,none,none
196858,6-Hydroxysandoricin,OtherMutliCpd,Compound,CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)C(C(=O)OC)O)C,NKHYHRMLCJNKHW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
196885,Litebamine,OtherMutliCpd,Compound,CN1CCC2=C(C1)C(=C(C3=C2C=CC4=CC(=C(C=C43)OC)O)OC)O,QOWFEPGZJDCIKG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
196915,Cohumulone,OtherMutliCpd,Compound,CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O,DRSITEVYZGOOQG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Acyloins,none,none,none,none,none,none
196978,Xanthopurpurin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O,WPWWKBNOXTZDQJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
197091,Araloside A,OtherMutliCpd,Compound,C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O,KQSFNXMDCOFFGW-UGBTYEQWSA-N,none,none,none,none,none,none,none,none,none,none,none
197287,Depsidomycin,OtherMutliCpd,Compound,CCC(C)C(C(=O)NC1C(OC(=O)C2CCCNN2C(=O)C(NC(=O)C3CCCNN3C(=O)C(NC(=O)C(NC1=O)CC(C)C)C(C)C)CC(C)C)C)NC=O,QCUFYOBGGZSFHY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
200631,2-Hydroxy-1-(1H-indol-3-yl)ethanone,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C(=O)CO,IBLZDDPFMAFWKP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
204759,Haloxylon Base 7,OtherMutliCpd,Compound,CC1(N(CC(O1)C2=CC=C(C=C2)O)C)C,JJIWDWMLQCSXFB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
207212,29325-83-5,OtherMutliCpd,Compound,C1CCC2=C(CC1)C=C3C(=C2)C(=C(O3)C4=CC=CC=C4)C5=CC=C(C=C5)OCCN6CCCC6,LSRSTEGFQPNESQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
208902,Ramelteon,Drug,Compound,CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3,YLXDSYKOBKBWJQ-LBPRGKRZSA-N,Organic compounds,Benzenoids,Indanes,none,Indanes,none,none,none,none,none,none
210108,BRN 0967133,OtherMutliCpd,Compound,CC1=CC(=NC(=N1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C,UXUXRLXPISSQLN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Triphenyl compounds,none,Triphenyl compounds,none,none,none,none,none,none
210328,Dehydroerythorbic acid,OtherMutliCpd,Compound,C([C@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O,SBJKKFFYIZUCET-DUZGATOHSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
211775,N-2-Naphthylnicotinamidine,OtherMutliCpd,Compound,C1=CC=C2C=C(C=CC2=C1)N=C(C3=CN=CC=C3)N,OZNNBAATRMBYOE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
211944,3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)propan-1-one,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3Cl,QOKMEYCLTFZPLU-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
213522,(+-)-Sedridine,OtherMutliCpd,Compound,C[C@H](C[C@H]1CCCCN1)O,GFKFBLJVPWRDEL-HTQZYQBOSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
213591,Ipomeamaronol,OtherMutliCpd,Compound,CC(CC(=O)CC1(CCC(O1)C2=COC=C2)C)CO,LKVKWNDXOWODLO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
213821,8-Paradol,OtherMutliCpd,Compound,CCCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC,TYQRTQZWHUXDLG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Paradols,none,none,none,none,none,none
214899,Fluperamide hydrochloride,OtherMutliCpd,Compound,CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl,GEWHMNRKXIVZJF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
216237,Tolvaptan,Drug,Compound,CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C,GYHCTFXIZSNGJT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,Benzanilides,none,none,none,none,none
216239,Sorafenib,Drug,Compound,CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,MLDQJTXFUGDVEO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Diarylethers,none,none,none,none,none,none
216326,Lenalidomide,Drug,Compound,C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N,GOTYRUGSSMKFNF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoindoles and derivatives,Isoindolines,Isoindolones,none,none,none,none,none,none
216328,Fonsecin,OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)OC)O)O,FKCYENFBFZUSDP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
217390,Spermine dialdehyde,OtherMutliCpd,Compound,C(CCNCCC=O)CNCCC=O,WPBJCXUUUSDQJO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
219078,Lacosamide,Drug,Compound,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,VPPJLAIAVCUEMN-GFCCVEGCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
219662,D-Mannoheptose,OtherMutliCpd,Compound,C(C(C(C(C(C(C=O)O)O)O)O)O)O,YPZMPEPLWKRVLD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Heptoses,none,none,none,none,none
219672,4-Methyl-1-phenylpentan-2-one,OtherMutliCpd,Compound,CC(C)CC(=O)CC1=CC=CC=C1,DTYGTEGDVPAKDA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
219794,5-Hydroxyoctan-4-one,OtherMutliCpd,Compound,CCCC(C(=O)CCC)O,BVEYJWQCMOVMAR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
220327,4-HYDROXYPHENYL THIOCYANATE,OtherMutliCpd,Compound,C1=CC(=CC=C1O)SC#N,FMRRFPFZGPDDLZ-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
220434,Pyruvic Aldehyde 1-Phenylhydrazone,OtherMutliCpd,Compound,CC(=O)C=NNC1=CC=CC=C1,PWELTGGNVDVIGR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylhydrazines,Phenylhydrazines,none,none,none,none,none,none
220628,p-Aminobenzenephosphonous acid,OtherMutliCpd,Compound,C1=CC(=CC=C1N)P(O)O,YGQABJKKHYNBFZ-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
220674,L-Menthyl acetate,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C,XHXUANMFYXWVNG-ADEWGFFLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
220774,NSC167406,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O,WCGUUGGRBIKTOS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
221023,"Lup-20(29)-ene-3	28-diol",OtherMutliCpd,Compound,CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO,FVWJYYTZTCVBKE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
221069,Propyl levulinate,OtherMutliCpd,Compound,CCCOC(=O)CCC(=O)C,QOSMNYMQXIVWKY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
221122,Coprosterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C,QYIXCDOBOSTCEI-NWKZBHTNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
221417,3-Phenylpropyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCCCC1=CC=CC=C1,RSOGLEKUVSFLMO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
221493,cholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-OELDTZBJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
221641,Propyl phenylacetate,OtherMutliCpd,Compound,CCCOC(=O)CC1=CC=CC=C1,GXXFZZLGPFNITM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
221691,Hexyl phenylacetate,OtherMutliCpd,Compound,CCCCCCOC(=O)CC1=CC=CC=C1,MTAHGWGAEGVCLS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
222284,BETA-SITOSTEROL,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,KZJWDPNRJALLNS-VJSFXXLFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
222285,meso-Erythritol,OtherMutliCpd,Compound,C([C@H]([C@H](CO)O)O)O,UNXHWFMMPAWVPI-ZXZARUISSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
222656,L-Malic acid,OtherMutliCpd,Compound,C([C@@H](C(=O)O)O)C(=O)O,BJEPYKJPYRNKOW-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
222786,cortisone,Drug,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,MFYSYFVPBJMHGN-ZPOLXVRWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
222803,21-Deoxyhydrocortisone,OtherMutliCpd,Compound,CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,LCZBQMKVFQNSJR-CZUPSRJTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
222865,Androstanedione,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,RAJWOBJTTGJROA-WZNAKSSCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
223517,4-(2-chlorobenzyl)-2-methylphenyl 4-chlorobenzoate,OtherMutliCpd,Compound,CC1=C(C=CC(=C1)CC2=CC=CC=C2Cl)OC(=O)C3=CC=C(C=C3)Cl,ZVKQGCBKOWTAMZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
223997,ADRENOSTERONE,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C,RZRPTBIGEANTGU-IRIMSJTPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
225688,.alpha.-Amyrin,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C,FSLPMRQHCOLESF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
225936,"(2R	3R)-butane-2	3-diol",OtherMutliCpd,Compound,C[C@H]([C@@H](C)O)O,OWBTYPJTUOEWEK-QWWZWVQMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
226036,Columbin,OtherMutliCpd,Compound,CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5,AALLCALQGXXWNA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
226311,"2	3	4	5	6-pentahydroxy-N-(2-hydroxyethyl)hexanamide",OtherMutliCpd,Compound,C(CO)NC(=O)C(C(C(C(CO)O)O)O)O,DTMUKVUZNZJFNO-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
226371,Liriodendrin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC,FFDULTAFAQRACT-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
226486,"4-Allyl-2	6-dimethoxyphenol",OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)CC=C,FWMPKHMKIJDEMJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
227613,ASPIDOSPERMINE,OtherMutliCpd,Compound,CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C,ARQOGCYMPUOVHK-ZHHKINOHSA-N,Organic compounds,Alkaloids and derivatives,Aspidospermatan-type alkaloids,none,Aspidospermatan-type alkaloids,none,none,none,none,none,none
227752,N-Acetyl-DL-valine,OtherMutliCpd,Compound,CC(C)C(C(=O)O)NC(=O)C,IHYJTAOFMMMOPX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
228398,DL-Theanine,OtherMutliCpd,Compound,CCNC(=O)CCC(C(=O)O)N,DATAGRPVKZEWHA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
228491,Epipregnanolone,OtherMutliCpd,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C,AURFZBICLPNKBZ-GRWISUQFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
228548,"4	4-Dimethoxy-2-butanone",OtherMutliCpd,Compound,CC(=O)CC(OC)OC,PJCCSZUMZMCWSX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
228583,2-Furylacetone,OtherMutliCpd,Compound,CC(=O)CC1=CC=CO1,IQOJTGSBENZIOL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
228588,1-(2-furyl)butan-1-one,OtherMutliCpd,Compound,CCCC(=O)C1=CC=CO1,GONWJZJNVDRECJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
228593,2-Octanoylfuran,OtherMutliCpd,Compound,CCCCCCCC(=O)C1=CC=CO1,OQMUCISCOICEGC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
228604,5-Methyl-5-hexen-2-one,OtherMutliCpd,Compound,CC(=C)CCC(=O)C,VBCIOOKAKHGVMI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
228769,Octyl isovalerate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)CC(C)C,FUBGRVHGQADOJI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
229377,Propyl heptanoate,OtherMutliCpd,Compound,CCCCCCC(=O)OCCC,UWZVPQKWYFZLLW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
229387,Decyl butyrate,OtherMutliCpd,Compound,CCCCCCCCCCOC(=O)CCC,PUCQHFICPFUPKW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
229852,NSC-23878,OtherMutliCpd,Compound,COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3,RSIWXFIBHXYNFM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
229888,2-Phenylethyl octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)OCCC1=CC=CC=C1,ASETYIALRXDVDF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
230525,"2-Benzyl-4	5-dimethyl-1	3-dioxolane",OtherMutliCpd,Compound,CC1C(OC(O1)CC2=CC=CC=C2)C,VMVFTCHLZRRVDJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
230608,5466-34-2,OtherMutliCpd,Compound,C1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O,MRRUZRQLJRYSEZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,4-quinolinemethanols,4-quinolinemethanols,none,none,none,none,none,none
231162,"Ethyl 3	4	5-Trimethoxybenzoate",OtherMutliCpd,Compound,CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC,UEOFNBCUGJADBM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
231325,1-(furan-2-yl)pentan-1-one,OtherMutliCpd,Compound,CCCCC(=O)C1=CC=CO1,HTOZHTBIOGGHDJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
231412,fuscaxanthone c,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C,FCIKYGUVHWZSJV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
231963,2-(4-Methoxybenzoyl)benzoic acid,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O,UIUCGMLLTRXRBF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
232990,Neohesperidin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O,ARGKVCXINMKCAZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
234096,Spirost-5-en-3-ol,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1,WQLVFSAGQJTQCK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
234237,3-Hydroxynonyl acetate,OtherMutliCpd,Compound,CCCCCCC(CCOC(=O)C)O,RTYFAKSWXDNPPU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
235414,Oxacyclohexadecan-2-one,OtherMutliCpd,Compound,C1CCCCCCCOC(=O)CCCCCC1,FKUPPRZPSYCDRS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
236687,"4-Methyl-2-(1-phenylethyl)-1	3-dioxolane",OtherMutliCpd,Compound,CC1COC(O1)C(C)C2=CC=CC=C2,KHLVXMUGPANNQD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
237332,5-HYDROXYMETHYLFURFURAL,OtherMutliCpd,Compound,C1=C(OC(=C1)C=O)CO,NOEGNKMFWQHSLB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
238307,3-pentylpyridine,OtherMutliCpd,Compound,CCCCCC1=CN=CC=C1,WPFPTAWUHHGUDQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
238498,Ethyl 3-oxohexanoate,OtherMutliCpd,Compound,CCCC(=O)CC(=O)OCC,KQWWVLVLVYYYDT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
238782,"5	7-Dihydroxyflavanone",OtherMutliCpd,Compound,C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3,URFCJEUYXNAHFI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
240121,Cedran-8-yl acetate,OtherMutliCpd,Compound,CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C,HQKQRXZEXPXXIG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Cedrane and isocedrane sesquiterpenoids,none,none,none,none,none,none
240925,"2	6-Dimethoxy-4-methylphenol",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)OC)O)OC,ZFBNNSOJNZBLLS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
241025,4-hydroxy-6-methyloxan-2-one,OtherMutliCpd,Compound,CC1CC(CC(=O)O1)O,KKZQBMBBMJKIRQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
242024,MLS002667331,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC(=C(C=C23)OC)OC)O)(CO)O)C(=O)O,XUCBEPRXAGBDCB-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Aryltetralin lignans,9--9p-dihydroxyaryltetralin lignans,9--9p-dihydroxyaryltetralin lignans,none,none,none,none,none,none
242332,571-20-0,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,CBMYJHIOYJEBSB-YSZCXEEOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
243675,Anisyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCC1=CC=C(C=C1)OC,MEPOOZLETHNMSR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
243691,Dodecyl isobutyrate,OtherMutliCpd,Compound,CCCCCCCCCCCCOC(=O)C(C)C,LDPLLPONRGVDGK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
243783,Cyclohexyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC1CCCCC1,VZHUBBUZNIULNM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
243907,"2	3-Diphenylpyrazine",OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3,PTZIVVDMBCVSMR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
244199,(5-chloro-2-hydroxyphenyl)acetic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1Cl)CC(=O)O)O,MXOUPSVVAIWFKQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetic acids,2(hydroxyphenyl)acetic acids,none,none,none,none,none,none
244297,Friedlein,OtherMutliCpd,Compound,CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C,OFMXGFHWLZPCFL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
245310,NSC57194,OtherMutliCpd,Compound,CC(C)C1=CC2(CCC3C(C2CC1=O)(CCCC3(C)C(=O)O)C)O,BDGVLOCEQIJJDJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
245869,Antimycin A3,OtherMutliCpd,Compound,CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C,PVEVXUMVNWSNIG-PDPGNHKXSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
246164,Beta-Cortol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](CO)O)O)C)O)O,FFPUNPBUZDTHJI-ZFOKFBPFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
246266,2-bromo-N-cyclohexylacetamide,OtherMutliCpd,Compound,C1CCC(CC1)NC(=O)CBr,VQKRFCPNGGNHNN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Secondary carboxylic acid amides,none,none,none,none,none
246520,Cholesteryl palmitate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,BBJQPKLGPMQWBU-JADYGXMDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
246728,3-Octanone,OtherMutliCpd,Compound,CCCCCC(=O)CC,RHLVCLIPMVJYKS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
246873,Cortol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O)O,FFPUNPBUZDTHJI-XPOJVAQCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
246929,Ethyl 2-benzylacetoacetate,OtherMutliCpd,Compound,CCOC(=O)C(CC1=CC=CC=C1)C(=O)C,XDWQYMXQMNUWID-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
246983,lanosterol,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,CAHGCLMLTWQZNJ-BQNIITSRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
247020,21-Hydroxypregnenolone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CC=C4[C@@]3(CC[C@@H](C4)O)C,MOIQRAOBRXUWGN-WPWXJNKXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
247304,2-Hydroxyestradiol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O,DILDHNKDVHLEQB-XSSYPUMDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
247477,"2-Ethyl-4	5-dimethylphenol",OtherMutliCpd,Compound,CCC1=C(C=C(C(=C1)C)C)O,ZUDAICPAUJSPHK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Cresols,Para cresols,none,none,none,none,none,none
247732,Epietiocholanolone,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,QGXBDMJGAMFCBF-XRJZGPCZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
247839,medrysone,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)C(=O)C,GZENKSODFLBBHQ-ILSZZQPISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
249377,2-deoxypentitol,OtherMutliCpd,Compound,C(CO)C(C(CO)O)O,ZDAWZDFBPUUDAY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
249494,"3	7-Dimethyloctane-1	7-diol",OtherMutliCpd,Compound,CC(CCCC(C)(C)O)CCO,FPCCDPXRNNVUOM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
249630,NSC68131,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5,XALQSEMBBZKHCV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,Benzanilides,none,none,none,none,none
250096,Benzyl tiglate,OtherMutliCpd,Compound,C/C=C(\C)/C(=O)OCC1=CC=CC=C1,QRGSTISKDZCDHV-XCVCLJGOSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
250398,"(3	4	5	6-tetrahydroxyoxan-2-yl)methyl 3	4	5-trihydroxybenzoate",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O,VGVDLJNNDOFWKT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
251529,Linalyl phenylacetate,OtherMutliCpd,Compound,CC(=CCCC(C)(C=C)OC(=O)CC1=CC=CC=C1)C,RROUXOOIXJRTOM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
251531,Phenethyl 2-furoate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC(=O)C2=CC=CO2,QKPSYARWSBJEDY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furans,Furoic acid and derivatives,Furoic acid esters,none,none,none,none,none,none
251912,"(2s	3s)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid",OtherMutliCpd,Compound,CN1C2CCC1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O,GVGYEFKIHJTNQZ-HOAMVYINSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
252379,"19-Hydroxyandrost-4-ene-3	17-dione",OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CO,XGUHPTGEXRHMQQ-BGJMDTOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
253775,Hamamelitannin,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O,FEPAFOYQTIEEIS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
253834,EDULEINE,OtherMutliCpd,Compound,CN1C(=CC(=O)C2=C1C=C(C=C2)OC)C3=CC=CC=C3,SNNYHVVKJUPXKZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Phenylquinolines,Phenylquinolines,none,none,none,none,none,none
255450,3-(6-amino-9h-purin-9-yl)propanoic acid,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2CCC(=O)O,QXAYJKFBMWMARF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
255607,"4	22-Cholestadien-24-ethyl-3-one",OtherMutliCpd,Compound,CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C,MKGZDUKUQPPHFM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
256071,2-Pyridinemethanethiol,OtherMutliCpd,Compound,C1=CC=NC(=C1)CS,SJIIDWBFRZACDQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
256872,MLS002694540,OtherMutliCpd,Compound,C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)N(CCCl)CCCl,RDMDBLYGUNAKBH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydroisoquinolines,none,Dihydroisoquinolines,none,none,none,none,none,none
258809,Madecassic acid,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O,PRAUVHZJPXOEIF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
259218,5-Methoxycanthin-6-one,OtherMutliCpd,Compound,COC1=CC2=NC=CC3=C2N(C1=O)C4=CC=CC=C34,TXEFUSAHPIYZHD-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Indolonaphthyridine alkaloids,none,Indolonaphthyridine alkaloids,none,none,none,none,none,none
259325,DL-Leucyl-DL-phenylalanine,OtherMutliCpd,Compound,CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N,KFKWRHQBZQICHA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
259331,estramustine,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,FRPJXPJMRWBBIH-RBRWEJTLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrane steroids,none,none,none,none,none,none
259579,L-glycyl-L-hydroxyproline,OtherMutliCpd,Compound,C1C(CN(C1C(=O)O)C(=O)CN)O,ZJQXGJBINIMBOY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
259676,13425-06-4,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC,LZJWNVLTWYMMDJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
259846,Lupeol,OtherMutliCpd,Compound,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C,MQYXUWHLBZFQQO-QGTGJCAVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
260019,MLS002695035,OtherMutliCpd,Compound,C1=CC(=C(C=C1NC(=O)CCCCN2C=CC(=O)NC2=O)C(=O)O)O,AMNCIFANCZEMFN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
263034,Difurfuryl ether,OtherMutliCpd,Compound,C1=COC(=C1)COCC2=CC=CO2,YEQMNLGBLPBBNI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
263426,"1-methyl-2	3	4	9-tetrahydro-1h-|A-carboline-1	3-dicarboxylic acid",OtherMutliCpd,Compound,CC1(C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2)C(=O)O,ZKGAKYZRRFOFGK-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
263469,Pro-Pro,OtherMutliCpd,Compound,C1CC(NC1)C(=O)N2CCCC2C(=O)O,RWCOTTLHDJWHRS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
263620,ethyl 3-acetoxy-2-methylbutanoate,OtherMutliCpd,Compound,CCOC(=O)C(C)C(C)OC(=O)C,KYWLAHNPWLJLDJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
264343,"6-nitro-2	1-benzoxazole-3-carboxylic acid",OtherMutliCpd,Compound,C1=CC2=C(ON=C2C=C1[N+](=O)[O-])C(=O)O,LIZZRGKWWBTAKX-UHFFFAOYSA-N,Organic compounds,Organic 1--3-dipolar compounds,Allyl-type 1--3-dipolar organic compounds,Organic nitro compounds,C-nitro compounds,Nitroaromatic compounds,none,none,none,none,none
265518,NSC101628,OtherMutliCpd,Compound,CSC1=NC=NC2=C1N=CN2C3CC4C(O3)COP(=O)(O4)O,OGBZRTCEATWSNP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-thiopurines,none,none,none,none,none,none
265875,"2-(3-methylbut-2-enoyl)indene-1	3-dione",OtherMutliCpd,Compound,CC(=CC(=O)C1C(=O)C2=CC=CC=C2C1=O)C,KWVMEUYISWAZHM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanediones,none,none,none,none,none,none
266501,NSC104794,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)C)OC1,XERVTTUAMKCJIM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
266998,"1	6-Cyclodecanedione",OtherMutliCpd,Compound,C1CCC(=O)CCCCC(=O)C1,KBSGQTAYVRWUEO-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
267302,"pimara-7	15-dien-18-oic acid",OtherMutliCpd,Compound,CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C,MXYATHGRPJZBNA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
267359,AC1L6I0G,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1,DLUTTXMPJCVUFR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
267363,24915-65-9,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC19CCC(O9)(C)COC1C(C(C(C(O1)CO)O)O)O,AAJHVVLGKCKBSH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
267400,Laurotetanine,OtherMutliCpd,Compound,COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC,GVVXPMORGFYVOO-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
268208,7-Acetoxy-2-methylisoflavone,OtherMutliCpd,Compound,CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3,DPIAJERHFDBLPT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
269972,52537-88-9,OtherMutliCpd,Compound,COC1=CC=C(C=C1)NCC2=CC=CC=C2O,HLFHQRSQVWQRJY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylbenzamines,none,none,none,none,none,none
270604,11-Oxo-androsterone glucuronide,OtherMutliCpd,Compound,CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O,QTXWOOLAHRQMGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
270738,1-Deoxypentitol,OtherMutliCpd,Compound,CC(C(C(CO)O)O)O,FJGNTEKSQVNVTJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
271605,Ecdysterone,OtherMutliCpd,Compound,CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O,NKDFYOWSKOHCCO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,none,none,none,none,none,none
273022,1-aminopyrrolidine-2-carboxylic acid,OtherMutliCpd,Compound,C1CC(N(C1)N)C(=O)O,OUCUOMVLTQBZCY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
273569,"1	4a-dimethyl-7-(prop-1-en-2-yl)-2	3	4	4a	5	6	7	8-octahydronaphthalen-2-ol",OtherMutliCpd,Compound,CC1=C2CC(CCC2(CCC1O)C)C(=C)C,APWLDLGOYJHNIK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
274178,beta-aspartylaspartic acid,OtherMutliCpd,Compound,C(C(C(=O)O)N)C(=O)NC(CC(=O)O)C(=O)O,KXAWLANLJYMEGB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
274288,1-(4-fluorophenyl)-3-(2-methylphenyl)urea,OtherMutliCpd,Compound,CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)F,FJXYZNCWLFXRAY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,N-phenylureas,N-phenylureas,none,none,none,none,none,none
275010,NSC121398,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C2=CC=CO2)(C(=O)O)O,WRDWRFQPCQESHV-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
275074,NSC121519,OtherMutliCpd,Compound,C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)SCCCC3=C(N=C(N=C3N)N)N.OS(=O)(=O)O,CKGQBIVHCLCRKA-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
275196,noscapine,OtherMutliCpd,Compound,CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3,AKNNEGZIBPJZJG-MSOLQXFVSA-N,Organic compounds,Alkaloids and derivatives,Phthalide isoquinolines,none,Phthalide isoquinolines,none,none,none,none,none,none
275529,SUGIOL,OtherMutliCpd,Compound,CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O,IPEHJNRNYPOFII-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
276280,"3	4	5-trimethoxyphenyl acetate",OtherMutliCpd,Compound,CC(=O)OC1=CC(=C(C(=C1)OC)OC)OC,ASPRESJSDRJZBN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
276958,NSC125456,OtherMutliCpd,Compound,CC(C)CCNCC(C)(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],ZENIWYVEQSMOPY-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
277462,"4	4	7-trimethyloctahydro-5h-inden-5-one",OtherMutliCpd,Compound,CC1CC(=O)C(C2C1CCC2)(C)C,UWKYNAUNNDBQAU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
278055,Koenigicine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=CC(=C(C=C4N3)OC)OC)C=CC(O2)(C)C,IUZVYLWUISSZCS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
281254,Methyl 4-phenylbutyrate,OtherMutliCpd,Compound,COC(=O)CCCC1=CC=CC=C1,YRYZGVBKMWFWGT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
281622,NSC134478,OtherMutliCpd,Compound,C(CNCC(=O)O)C(=O)O,GAUBNQMYYJLWNF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
282014,"2-(4-Hydroxyphenyl)-3	4-dihydro-2H-1-benzopyran-3	5	7-triol",OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O,RSYUFYQTACJFML-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,none,none,none,none,none,none
283211,NSC137578,OtherMutliCpd,Compound,C1=CC=C(C(=C1)NN(CC2=CC=NC=C2)C3=CC=CC=C3Cl)Cl,OEWOKUHPJQNSCI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylhydrazines,Phenylhydrazines,none,none,none,none,none,none
283906,Nigakihemiacetal B,OtherMutliCpd,Compound,CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC,BDQNCUODBJZKIY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Quassinoids,none,none,none,none,none,none
284998,OXOPURPUREINE,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC,AZTLZBDEFBJZQG-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
285097,Dihydrojasmone lactone,OtherMutliCpd,Compound,CCCCCCC1(CCC(=O)O1)C,ALWUKGXLBSQSMA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
286498,Corosin,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)O,FYGSMJAMPMZYFS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
286499,NSC144945,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C,GHGKPLPBPGYSOO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
286538,2-(6-hydroxy-1H-indol-3-yl)acetamide,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)NC=C2CC(=O)N,PGXXGODNTPWQHZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
287439,Cyclohexyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OC1CCCCC1,SQPOKBBCNZIWFI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
287684,Ilexol,OtherMutliCpd,Compound,CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)C,TZVDWGXUGGUMCE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
287687,"Carotol	 (+)-",OtherMutliCpd,Compound,CC1=CCC2(CCC(C2(CC1)O)C(C)C)C,XZYQCFABZDVOPN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
288368,NSC149545,OtherMutliCpd,Compound,CC(C)C1=CC2=CCC3C(C2CC1O)(CCCC3(C)C(=O)O)C,DYNISIGUMYFVJW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
290897,5-Methoxyseselin,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)C,ZNMRQYJUVCXNGK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Angular pyranocoumarins,none,none,none,none,none,none
290988,m-Hemipic acid,OtherMutliCpd,Compound,COC1=C(C=C(C(=C1)C(=O)O)C(=O)O)OC,SKBDLRWFSRLIPP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
291684,Yucalexin B9,OtherMutliCpd,Compound,CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CC(=O)C1O)C)C)C,KVDLINJXYLXARR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
291687,NSC157040,OtherMutliCpd,Compound,CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(C=C(C1=O)O)C)C)C,QPTSUMMYEGOBLJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
292625,7-Pentadecanone,OtherMutliCpd,Compound,CCCCCCCCC(=O)CCCCCC,VUXXXYMMZBAUSE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
292959,NSC159226,OtherMutliCpd,Compound,CC1=CC=CC=C1N2C(=CC(=O)C(=C2C)C(=O)Cl)C,BNFSWKTVBADCGI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids and derivatives,none,none,none,none,none,none
293736,RHODEXIN B,OtherMutliCpd,Compound,CC12CCC(CC1CCC3C2CCC4(C3(CC=C4C5=CC(=O)OC5)O)C)O,YGABECOLNBBTLH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Steroid lactones,none,none,none,none,none,none
293754,Amyrin acetate,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C,UDXDFWBZZQHDRO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
294443,NSC162767,OtherMutliCpd,Compound,CC(=O)C(C(C1=CC=CC=N1)C(C(=O)C)C(=O)C)C(=O)C,UXOJQUGHNYGIFG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,Beta-diketones,none,none,none,none,none
294514,"2-hydroxy-N-(1	3	4-trihydroxyoctadecan-2-yl)hexacosanamide",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O,XNLFLZXNXQVPII-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Phytoceramides,none,none,none,none,none,none
296119,beta-Sitosterol 3-O-beta-D-galactopyranoside,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C,NPJICTMALKLTFW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
296191,464-92-6,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O,JXSVIVRDWWRQRT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
300085,"1-methyl-4-(propan-2-yl)cyclohex-2-ene-1	4-diol",OtherMutliCpd,Compound,CC(C)C1(CCC(C=C1)(C)O)O,WHOYVNZMAORLBI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
301941,"2	3-dihydroxy-2-methylbutanoic acid",OtherMutliCpd,Compound,CC(C(C)(C(=O)O)O)O,AOWPAWLEXIYETE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
302089,N-acetyl-N-benzylglycine,OtherMutliCpd,Compound,CC(=O)N(CC1=CC=CC=C1)CC(=O)O,SOPMURVETPAMPO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
302427,2-(2-amino-4-carboxybutanamido)butanedioic acid,OtherMutliCpd,Compound,C(CC(=O)O)C(C(=O)NC(CC(=O)O)C(=O)O)N,FYYSIASRLDJUNP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
302430,beta-Asp-gly,OtherMutliCpd,Compound,C(C(C(=O)O)N)C(=O)NCC(=O)O,ZTEDWFWBGPKUOD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
303618,GRANULATED SUGAR; STEARIC ACID,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O.C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,ONAIRGOTKJCYEY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
303619,SCHEMBL3944704,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O.C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,XZAGBDSOKNXTDT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
304256,Oxyallobetulin,OtherMutliCpd,Compound,CC1(CCC23CCC4(C(C2C1OC3=O)CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C)C,BVJDDPRBYGBPKD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
305322,NSC202088,OtherMutliCpd,Compound,C1CC(OC1)CN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O,NGYYHWDFIZTGMZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Nitronaphthalenes,Nitronaphthalenes,none,none,none,none,none,none
307475,NSC205584,OtherMutliCpd,Compound,CC1=C(C=C(C=C1)NC(=O)OC2=C(C=C(C=C2)C(C)(C)C)Br)NC(=O)OC3=C(C=C(C=C3)C(C)(C)C)Br,MOZPKVUMNQZGRM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylcarbamic acid esters,Phenylcarbamic acid esters,none,none,none,none,none,none
308067,"1-(2-(3	4-DIMETHOXYPHENYL)ETHYL)-3-BUTYLUREA",OtherMutliCpd,Compound,CCCCNC(=O)NCCC1=CC(=C(C=C1)OC)OC,YAKQAOSIMCLQBM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
308075,8-Hydroxy-7-methylguanine,OtherMutliCpd,Compound,CN1C2=C(NC(=NC2=O)N)NC1=O,VHPXSVXJBWZORQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,Hypoxanthines,none,none,none,none,none
309277,AC1L7EPC,OtherMutliCpd,Compound,C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)C=O,PMPJHONIWZHMTH-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
312796,.alpha.-Ergostenol,OtherMutliCpd,Compound,CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(CCC4(C3CCC12C)C)O,AWYDNKRGSOPYQB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
312804,NSC224287,OtherMutliCpd,Compound,CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O,UXLXLQYIDWLPKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
312822,24.alpha.-Methylcholesterol,OtherMutliCpd,Compound,CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,SGNBVLSWZMBQTH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
312827,Spirosolan-3-ol #,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1,XYNPYHXGMWJBLV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Spirosolanes and derivatives,none,none,none,none,none,none
313275,Smilagenone,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(=O)C6)C)C)C)OC1,CIBAPVLFORANSS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
313280,Steviol,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)O,QFVOYBUQQBFCRH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
313324,ALOINOSIDE B,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2=CC(=C3C(=C2)C(C4=C(C3=O)C(=CC=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O,BUPDVJFRVYWYEV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
313325,aloin,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2C4C(C(C(C(O4)CO)O)O)O)CO)O,AFHJQYHRLPMKHU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
314523,Steviobioside,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)O,OMHUCGDTACNQEX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,Steviol glycosides,none,none,none,none,none
315114,AC1L7R0A,OtherMutliCpd,Compound,CC(=O)OC(C)(C)C1CCC2(COC3(C2(C1)OC=C3)C)C,YARAJYKHRCCDLG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
317256,2-(4-methyl-3-pentenyl)anthraquinone,OtherMutliCpd,Compound,CC(=CCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C,NQVBCGTZRWHVSY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
317398,2-O-Methyladenosine,OtherMutliCpd,Compound,COC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O,FPUGCISOLXNPPC-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
318771,.alpha.-Kessyl alcohol,OtherMutliCpd,Compound,CC1CC(C2C1CC3CCC2(OC3(C)C)C)O,ZADVMZUKWWMSLQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxepanes,none,Oxepanes,none,none,none,none,none,none
320054,Persicogenin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
320361,Skimmine,OtherMutliCpd,Compound,C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O,VPAOSFFTKWUGAD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Coumarin glycosides,Coumarin glycosides,none,none,none,none,none,none
321247,"1-[5-(2	3	4-trihydroxybutyl)pyrazin-2-yl]butane-1	2	3	4-tetrol",OtherMutliCpd,Compound,C1=C(N=CC(=N1)C(C(C(CO)O)O)O)CC(C(CO)O)O,FBDICDJCXVZLIP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
322636,HBOA,OtherMutliCpd,Compound,C1=CC=C2C(=C1)NC(=O)C(O2)O,VMQBFYRBJKDACN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Benzoxazinones,Benzoxazinones,none,none,none,none,none,none
323894,LAPPAOL A,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2C(COC2=O)CC3=CC(=C4C(=C3)C(C(O4)C5=CC(=C(C=C5)O)OC)CO)OC)O,PYLYQTVVQXPBIJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
323896,NSC-287068,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3COC(=O)C3CC4=CC(=C(C=C4)O)OC,BWOAMGHNXHLWMX-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
323935,78205-48-8,OtherMutliCpd,Compound,CC1=C2C(=C(C=C1)C(=O)N3CC(CC3C(=O)OC)O)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)N5CC(CC5C(=O)OC)O,DBNNLDJXFMOPNT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Phenoxazines,Phenoxazines,none,none,none,none,none,none
323964,NSC287449,OtherMutliCpd,Compound,CC(C)C1CCC2(C13CCC(O3)(CC2)C)C,WABYSPBNXHXFIQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
323971,GLUCOISOVITEXIN,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O,RQTTXGQDIROLTQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,none,none,none,none,none,none
325292,"3	5a	9-trimethyl-dodecahydronaphtho[1	2-b]furan-2	8-dione",OtherMutliCpd,Compound,CC1C2CCC3(CCC(=O)C(C3C2OC1=O)C)C,BXRGGUXPWTWACZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
325518,CAJANONE,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1)C2COC3=C(C2=O)C(=C4C=CC(OC4=C3)(C)C)O)O)O)C,BAKSOIVZFARRJC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,3'-prenylated isoflavanones,none,none,none,none,none
325735,LUPENE TRIOL,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO,TWKNDDJHVQUEJF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
326186,METHYLXANTHOXYLIN,OtherMutliCpd,Compound,CC1=C(C=C(C(=C1O)C(=O)C)OC)OC,AAOFJKLTRKOQTQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
326996,squamolone,OtherMutliCpd,Compound,C1CC(=O)N(C1)C(=O)N,XYVMBSCIEDOIJQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,Pyrrolidine carboxylic acids and derivatives,Pyrrolidinecarboxamides,none,none,none,none,none,none
327287,IXOCARPALACTONE A,OtherMutliCpd,Compound,CC1C(C(=O)OC1C(C(C)(C2C(CC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C,PHBPDHFIJFLEGD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
328236,Heraclenol,OtherMutliCpd,Compound,CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O,FOINLJRVEBYARJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
328738,NSC308811,OtherMutliCpd,Compound,CCOC1=CC=CC=C1N=CC2=C3C=CC=CC3=CC4=CC=CC=C42,ZSFUUFJQEOHQFO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
328778,NSC308879,OtherMutliCpd,Compound,CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C,PVLHOJXLNBFHDX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
328779,Panaxatriol,OtherMutliCpd,Compound,CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)O)C)C,QFJUYMMIBFBOJY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
329252,67567-15-1,OtherMutliCpd,Compound,CC12CC(OC(=O)C1CC3C4C2CC(CC4C(=O)O3)O)C5=COC=C5,GFUMUSWDMNZQDZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
329253,NSC310636,OtherMutliCpd,Compound,CC12CC(OC(=O)C1CC(C3C2CC4CC3C(=O)O4)O)C5=COC=C5,OEIFXOHVCYVTGK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
329584,61836-43-9,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O,YSWLZVWSHJYBPI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
329983,Menthofuran,OtherMutliCpd,Compound,CC1CCC2=C(C1)OC=C2C,YGWKXXYGDYYFJU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
330573,(-)-cis-Carveol,OtherMutliCpd,Compound,CC1=CC[C@H](C[C@H]1O)C(=C)C,BAVONGHXFVOKBV-NXEZZACHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
330877,Rosmaricine,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)N)O)O,NFXKGLBUURRKEA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
332208,"2-(3	4	5-Trimethoxyphenyl)-4H-chromen-4-one",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC=CC=C3O2,QCXAJQVDUHKDEL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
332427,Lariciresinol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O,MHXCIKYXNYCMHY-AUSJPIAWSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--9'-epoxylignans,none,none,none,none,none,none
334207,5123-55-7,OtherMutliCpd,Compound,C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3C2=O,VAYRSTHMTWUHGE-AWEZNQCLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
334704,Marmesin,OtherMutliCpd,Compound,CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O,FWYSBEAFFPBAQU-LBPRGKRZSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
335576,LENTINIC ACID,OtherMutliCpd,Compound,CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N,YJXVNZXKWINDJO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
336321,Ribaline,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)O)C)O,ONPUKGULNMQBLF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Dihydrofuranoquinolines,Dihydrofuranoquinolines,none,none,none,none,none,none
336327,Medicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O,NSRJSISNDPOJOP-BBRMVZONSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
337175,AC1L7L62,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)Cl,MHDPPLULTMGBSI-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
337494,1672-65-7,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC=C6)C)C)C)OC1,YEQBGJNMHDZXRG-ASBKZRTJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
338232,NSC359701,OtherMutliCpd,Compound,CC(=O)NC1=CC2=C(C=CC(=C2)N)OC1=O,LZDJQRLPKGUGHL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
338716,"MUSIZIN GLUCOSIDE	 6-HYDROXY",OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)C(=O)C,VJDBDVUFFPRHSF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
340064,AC1L7RDG,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1C=CC=O)OCO2)OC,UQBPCDWQJZVCPU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
340130,DITERPENE DERIV 330,OtherMutliCpd,Compound,CC1=CCC2C(CCCC2(C1CCC(C)(C(CO)O)O)C)(C)C,WWUAKADIANYYEA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
340931,CARISSANOL,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2COC(C2(CC3=CC(=C(C=C3)O)OC)O)O)O,LHQJDCXEZZAFKD-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactols,none,none,none,none,none
341188,Calabaxanthone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)OC)C,PLKQPRRVFTZBAE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
342294,7-Hydroxy-5-methoxyflavan,OtherMutliCpd,Compound,COC1=C2CCC(OC2=CC(=C1)O)C3=CC=CC=C3,UNCVBXFEZHBZKN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,5-O-methylated flavonoids,none,none,none,none,none,none
342344,AC1L7VXU,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2,OWMJDOUOHDOUFG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
342734,ile-pro,OtherMutliCpd,Compound,CCC(C)C(C(=O)N1CCCC1C(=O)O)N,BBIXOODYWPFNDT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
342737,Sesartemin,OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)OC)OC,DHWUVPPRBIJJKS-VUEDXXQZSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
342739,EPISESARTEMIN A,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3COC([C@H]3CO2)C4=CC5=C(C(=C4)OC)OCO5,DHWUVPPRBIJJKS-MDOOXIRGSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
342801,Dentatin,OtherMutliCpd,Compound,CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)C,QBFYQVZGIDUNIY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
344467,NSC401399,OtherMutliCpd,Compound,CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C,GGGUGZHBAOMSFJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Scalarane sesterterpenoids,none,none,none,none,none,none
344468,Taraxasterol acetate,OtherMutliCpd,Compound,CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C,SFEUTIOWNUGQMZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
345471,"cis-5.beta.	8.beta.-Epoxydaucan-9.alpha.-ol",OtherMutliCpd,Compound,CC(C)C1CCC2(C13CCC(O3)(C(C2)O)C)C,VLIUMVVQGMLOJG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
345761,MLS003171545,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O,MATGKVZWFZHCLI-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
346152,N-Lauroylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)NCC(=O)O,JWGGSJFIGIGFSQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
346286,1-Phenylethyl formate,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)OC=O,RUDZCBJWUDOPTP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
346340,ST077074,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O,SGTCGCCQZOUMJJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Coumarin glycosides,Coumarin glycosides,none,none,none,none,none,none
347468,Sorbitan monolaurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O,LWZFANDGMFTDAV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
348154,Dihydrocaffeic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCC(=O)O)O)O,DZAUWHJDUNRCTF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
348160,FRANGULIN,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C4C3=O)O)C)O)O)O)O,DTTVUKLWJFJOHO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
348162,SAKURANIN,OtherMutliCpd,Compound,COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O,NEPMMBQHELYZIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
349393,Demissidin,OtherMutliCpd,Compound,CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C,JALVTHFTYRPDMB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Solanidines and derivatives,none,none,none,none,none,none
351795,3-Indoleacetonitrile,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC#N,DMCPFOBLJMLSNX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
352051,4-methylpyrrolidine-2-carboxylic acid,OtherMutliCpd,Compound,CC1CC(NC1)C(=O)O,KKJQZEWNZXRJFG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
353479,NSC601904,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)CCCOC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C=C(O2)C5=CC6=C(C=C5)OCO6,JKLGFSBPEZTFTQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
353825,Graveoline,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4,COBBNRKBTCBWQP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
354159,NSC604987,OtherMutliCpd,Compound,CCC(C)C(=O)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C,DBEFONQGRSUFQO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
354197,2-amino-4-hydroxy-3-methylpentanoic acid,OtherMutliCpd,Compound,CC(C(C)O)C(C(=O)O)N,OSCCDBFHNMXNME-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Isoleucine and derivatives,none,none,none,none
354368,7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one,OtherMutliCpd,Compound,CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3,XRGWZIGGCNSFRY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
354616,Gentianine,OtherMutliCpd,Compound,C=CC1=C2CCOC(=O)C2=CN=C1,DFNZYFAJQPLJFI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyranopyridines,none,Pyranopyridines,none,none,none,none,none,none
355553,NSC609423,OtherMutliCpd,Compound,C(CC(=O)O)CNC(=O)CCC(C(=O)O)N,MKYPKZSGLSOGLL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
356087,"2(1H)-Quinolinone	 3-(2	3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-",OtherMutliCpd,Compound,CC(C)(C(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)O)O,NHNXJYYEQLVCAZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
358022,Ascorbigen A,OtherMutliCpd,Compound,C1C(C2C(O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O,OMSJCIOTCFHSIT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Furofurans,Isosorbides,Isosorbides,none,none,none,none,none,none
358296,CMLDBU00002581,OtherMutliCpd,Compound,COC(=O)C(C1CCCC(=O)C1)C(=O)OC,XRRVFMYYAGGSJO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
358832,Demethylnobiletin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC)OC,DOFJNFPSMUCECH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
360191,2-bromo-1H-indole-3-carbaldehyde,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=C(N2)Br)C=O,WIRLVLFYTTULCM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
360837,"2	3-Epoxysesamone",OtherMutliCpd,Compound,CC(=CCC12C(O1)C(=O)C3=C(C=CC(=C3C2=O)O)O)C,TWESJUCJKWFWQV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
361511,"1	3-dimethoxy-9	10-anthraquinone",OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OC,ILRJFVJXKPFIAB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
361512,Citreorosein,OtherMutliCpd,Compound,C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)CO,YQHZABGPIPECSQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
361941,10-Oxooctadecanoic acid,OtherMutliCpd,Compound,CCCCCCCCC(=O)CCCCCCCCC(=O)O,BGKROBBCCGUUCF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
362562,Erybraedin A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C,HOGHBEDTLGAJAS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
363452,Naphthoherniarin,OtherMutliCpd,Compound,CC1=CC2=C(C(=C1)C3=C(C=C4C(=C3)C=CC(=O)O4)OC)C(=O)C(=CC2=O)OC,MSDIEAZOLJWCBV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
363695,NSC628810,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=C[N+](=O)[O-])C2=CC=C(C=C2)Cl)Cl,UJJMCRNGTXQAGK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
363863,Maackiain,OtherMutliCpd,Compound,C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5,HUKSJTUUSUGIDC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
363935,"4	5	6	7-Tetrahydro-1H-imidazo[4	5-c]pyridine-6-carboxylic acid",OtherMutliCpd,Compound,C1C(NCC2=C1N=CN2)C(=O)O,YCFJXOFFQLPCHD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
365816,NSC633891,OtherMutliCpd,Compound,CC(C)[Si](C(C)C)(C(C)C)[Se]C1=CC=CC=C1,PZAJMMAOPFMULP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
366241,Castaneiolide,OtherMutliCpd,Compound,CCCCCC1CC2=C(C(C(CC3=C1C(=O)OC3=O)(CCCC)O)O)C(=O)OC2=O,RKHYCZRKSYBVGA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
366721,NSC635438,OtherMutliCpd,Compound,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=CC(=CC(=C3NC2=O)Cl)Cl)O,CGVKNDAEXKLQAY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
366746,ethyl 2-oxo-2-[2-(trifluoromethyl)anilino]acetate,OtherMutliCpd,Compound,CCOC(=O)C(=O)NC1=CC=CC=C1C(F)(F)F,MSCBOQJZOMFVOS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
367141,(-)-epicatechingallate,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,LSHVYAFMTMFKBA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
367838,NSC637913,OtherMutliCpd,Compound,CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C)C=O,UBQMUNBMQLEESX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Sulfanilides,Sulfanilides,none,none,none,none,none,none
368087,NSC638429,OtherMutliCpd,Compound,C1=CC=C(C=C1)N2C(=O)NC3(C2(C(=O)C4=CC=CC=C43)O)O,XULXOBLYRWHESW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azolidines,Imidazolidines,Imidazolidinones,Imidazolidinediones,Hydantoins,Phenylhydantoins,none,none,none
368117,Brassicanal B,OtherMutliCpd,Compound,CC1(CSC2=C(C3=CC=CC=C3N21)C=O)O,ZIEFIDANMCIAOW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
368920,NSC640325,OtherMutliCpd,Compound,CC1CCC23COC(=O)C2=CCCC3C1(C)CC(C4=COC=C4)OC(=O)C,DZAYTXGDCMMRGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
369312,(-)-Perillyl alcohol,OtherMutliCpd,Compound,CC(=C)[C@H]1CCC(=CC1)CO,NDTYTMIUWGWIMO-SNVBAGLBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
369598,NSC641479,OtherMutliCpd,Compound,CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O,PQZXFPBMXPGZMO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
369599,5-Hydroxy-7-methoxy-6-methylflavon,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC,QXJMWAGIFVRLTO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
370068,NSC642628,OtherMutliCpd,Compound,CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)NNC(=O)C[N+]3=CC=CC=C3)C)C(=O)NNC(=O)C[N+]4=CC=CC=C4.[Cl-],BZMDGKJEJHPTTG-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Azoles,Thiazoles,Thiazolecarboxylic acids and derivatives,Thiazolecarboxamides,none,none,none,none,none
370147,NSC642783,OtherMutliCpd,Compound,C1CN1P2(=NP(=NP3(=N2)NNP(=S)(NN3)OC4=CC=CC=C4)(N5CC5)N6CC6)N7CC7,BOINQHNDAWRRLG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxy compounds,Phenoxy compounds,none,none,none,none,none,none
372278,1-Hydroxy-5-oxo-2-phenylcyclohexanecarboxylic acid,OtherMutliCpd,Compound,C1CC(=O)CC(C1C2=CC=CC=C2)(C(=O)O)O,GJJJBQYNYSREEH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
372342,"Dimethyl 10b-(acetyloxy)-1-chloro-1	2	2a	10b-tetrahydrocyclobuta[l]phenanthrene-1	2-dicarboxylate",OtherMutliCpd,Compound,CC(=O)OC12C(C(C1(C(=O)OC)Cl)C(=O)OC)C3=CC=CC=C3C4=CC=CC=C24,DUMAALXWVDUHBK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,none,Phenanthrenes and derivatives,none,none,none,none,none,none
374825,NSC653248,OtherMutliCpd,Compound,C1=CC(=CC=C1C#N)NC2=CN=C3C=C(C=CC3=N2)N,MPMODVQXPSSCAI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
375105,Naphthsaritone,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O,ZMOIGGHUSNHCAB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
375143,"2	9	9	12-tetramethyl-9a	10	11	12	13	13a-hexahydro-9H-1	12-epoxyindolo[3	2	1-de]phenanthridine",OtherMutliCpd,Compound,CC1=C2C3=C4C(=C1)C5=CC=CC=C5N4C(C6C3CC(O2)(CC6)C)(C)C,YPSWCORASQDCJM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Phenanthridines and derivatives,none,none,none,none,none,none
375144,Currayanine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=CC=CC=C4N3)C5CC(O2)(CCC5C(=C)C)C,KXNHNLQCCJZSEK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
375148,"3	8-dimethyl-3-(4-methylpent-3-en-1-yl)-3	11-dihydropyrano[3	2-a]carbazol-9-ol",OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C3=C(N2)C4=C(C=C3)OC(C=C4)(C)CCC=C(C)C)O,WWXYBSVWYPHUPZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
375151,Mahanine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=C(N3)C=C(C=C4)O)C=CC(O2)(C)CCC=C(C)C,DWMBXHWBPZZCTN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
375152,Koenoline,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)CO)C3=CC=CC=C3N2,KNKVHLASDDREQS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
375162,(1-(2-Amino-3-(4-methoxyphenyl)propanoyl)-5-(6-(dimethylamino)-9H-purin-9-yl)-3-piperidinyl)methanol,OtherMutliCpd,Compound,CN(C)C1=NC=NC2=C1N=CN2C3CC(CN(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO,PYQCJOXAAHXMRG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
375312,NSC654830,OtherMutliCpd,Compound,CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=C)C(=O)O)C(=O)O,WABHENAZLPSQIE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
375682,(+)-.alpha.-Viniferin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C3C4=CC(=CC5=C4C(C(O5)C6=CC=C(C=C6)O)C7=CC(=CC8=C7C(C(O8)C9=CC=C(C=C9)O)C1=CC(=CC(=C31)O2)O)O)O)O,KUTVNHOAKHJJFL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
377153,NSC658355,OtherMutliCpd,Compound,COC1=CC2=C3C4=C(C=CC(=C4N=C2C=C1)[N+](=O)[O-])N(CCN3)CCO,VLNDNBAOBAIQOF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,none,none,none,none,none,none
377299,NSC658701,OtherMutliCpd,Compound,CC1CCC(C(=O)C1)(C(C)(C)OC)O,BHLUHWXCQDNTHP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
377345,NSC658786,OtherMutliCpd,Compound,CC(C)C(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC(=O)C(C)C)OC(=O)C(C)C)C(=O)O2)OC(=O)C(C)C,ZGFXODFJYKFSNE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
378253,NSC660146,OtherMutliCpd,Compound,C1CCC2C(C1)C(=O)C(=CC3=CC=CO3)C2=O,IVEWSCQJZRUAHP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
378254,AC1L8DG7,OtherMutliCpd,Compound,COC(=O)C(=CC1=CC=CO1)P(=O)(OC)OC,QAAQMJIHZOHTPF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
379622,NSC664331,OtherMutliCpd,Compound,CC1=CC(=O)C2=C1C(=CC=C2)NC3=NCCO3,MRPJJNHJZMWMNV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indenes and isoindenes,none,Indenes and isoindenes,none,none,none,none,none,none
380091,NSC665489,OtherMutliCpd,Compound,COC1=C(C(=O)OC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3OC)OCO4,BIIJSIZRQISSMR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
380468,4-{[(3-amino-2-phenylquinoxalin-6-yl)methyl]amino}benzoic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)O)N=C2N,VKJYCGOMVZQVLV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinoxalines,none,none,none,none,none,none
380816,NSC666537,OtherMutliCpd,Compound,CC1=C(CC(CC1=O)C(=C)C)O,XPEAPCMHDFIXFL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
380907,NSC666690,OtherMutliCpd,Compound,C1CCCCC(C(=O)C(=O)C(CCC1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O,ZPAOCLAKRURAOZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
382302,NSC669764,OtherMutliCpd,Compound,CC(NC(=O)C(CC(=O)O)N)NC(=O)N(C)C(C)(C)C,ACQJWVPNGVNRCD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
383154,NSC671200,OtherMutliCpd,Compound,CC(=O)N(C)CCC1=CNC2=CC=CC=C21,QXARHNVPFNXOJM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
383389,NSC671560,OtherMutliCpd,Compound,COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,KNGUIYKUPNUFQT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
383413,Octreotide (acetate),Drug,Compound,CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O,XQEJFZYLWPSJOV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
383827,Sakacin P,OtherMutliCpd,Compound,CC(C(=O)C(=O)N)NC(=O)OC(C)(C)C,VMETVXNVLXCEFC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,Fatty amides,none,none,none,none,none,none
384135,NSC673422,OtherMutliCpd,Compound,COC1=CC=C(C=C1)S(=O)CC2=C(C=CC(=C2)OC)OC,JUHWKKKZJJGMMI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyl sulfoxides,Benzyl sulfoxides,none,none,none,none,none,none
384240,N-ACETHYL-5-CHLOROTRYPTAMINE,OtherMutliCpd,Compound,CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl,WJIFPSFOSMKSAB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Acetamides,N-acetyl-2-arylethylamines,none,none,none,none
384730,NSC674966,OtherMutliCpd,Compound,COC(=O)C1(CC2=CC3=C(CCC3)C=C2C1=O)CC4=CC5=C(CCC5)C=C4,OJPPMCOCOQWCNP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
384877,Dimethylmatairesinol,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)OC)OC)OC,SNAOLIMFHAAIER-DLBZAZTESA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
385669,NSC677015,OtherMutliCpd,Compound,C1C(C(=O)C2=CC=CC=C21)CCCC(=O)C3=CC=CC=C3,GKRCZYKKRCJCON-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
385693,NSC677039,OtherMutliCpd,Compound,CC1=CC=CC2=C1CC(C2=O)CC3=CC=CC=C3C(=O)O,WPBXLAQJVPMZAI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
386331,Hexamethylquercetagetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC,CHXSDKWBSFDZEU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
386679,NSC679206,OtherMutliCpd,Compound,CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)OC,SEPNRDBTTGHYTF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
386800,NSC679508,OtherMutliCpd,Compound,CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C)C,ATRWWZLIIDAYME-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Anilides,none,none,none,none,none,none
387195,Sampangine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O,BWQKHOMAOVUASZ-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,1-azaoxoaporphines,none,1-azaoxoaporphines,none,none,none,none,none,none
387316,TAUROCHENODEOXYCHOLIC ACID,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,BHTRKEVKTKCXOH-BJLOMENOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
389574,NSC685881,OtherMutliCpd,Compound,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4,QGGNFPVBCAGWRP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
389658,NSC686030,OtherMutliCpd,Compound,CCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N,XXDPYJIHUCJSEF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Phenylpyrimidines,none,none,none,none,none,none
390235,NSC687527,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5,QBGDOVQSQFVTAC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
390520,Artocarpetin A,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C,RZVNDYZVNDJBPR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
391693,NSC691235,OtherMutliCpd,Compound,CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O,UVESXBZNKCZENA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
392450,8-Desoxygartanin,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C(=C1O)CC=C(C)C)OC3=C(C2=O)C=CC=C3O)O)C,GVQOVMKBYJKZSY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
392530,NSC693046,OtherMutliCpd,Compound,CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(=O)O,QXZLUBFLEDUMDB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
392622,ritonavir,Drug,Compound,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,NCDNCNXCDXHOMX-XGKFQTDJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-carbamoyl-alpha amino acids and derivatives,none,none,none,none
393594,MRS 1191,OtherMutliCpd,Compound,CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C,SNVFDPHQAOXWJZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
393724,NSC696242,OtherMutliCpd,Compound,COC(C(C1C(C=CO1)N2C=NC3=C2N=CN=C3N)O)OC,ZCFFUWUNYKSYAL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
397879,Heliantriol C,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2([C@H](C=C1C)O)C)O)C)C)(C)C)O)C,SCAPWGHHHZEERU-DVYMRSPSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
398554,1-methoxyindole-3-carbaldehyde,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)C=O,NFGIENSPALNOON-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
398793,AC1L9HBD,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC,MIBATSHDJRIUJK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
399491,Artocarpesin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=C(C=C(C=C3)O)O)O)C,YWUVFGZTDLJVCR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
400037,ethyl 4-{[(2z)-3-(1h-benzimidazol-2-yl)-6-methoxy-2h-chromen-2-ylidene]amino}benzoate,OtherMutliCpd,Compound,CCOC(=O)C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=CC(=C3)OC)C4=NC5=CC=CC=C5N4,CCYIGQNCLXTSGT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
400072,1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate,OtherMutliCpd,Compound,CC(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C,JAMQIUWGGBSIKZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
401129,UNII-CUX41G3911,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O)O,BMJHAAZDURGGSC-TZIWHRDSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
401299,Capsicosin,OtherMutliCpd,Compound,C[C@H]1C2C(C[C@@H]3C2(CC[C@H]4[C@H]3CC[C@@H]5C4(C[C@H](C(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O[C@]11CCC(CO1)C,RZWGPDBWOSUYCQ-ITAKGEODSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
403788,5735-41-1,OtherMutliCpd,Compound,B1(C2=CC=CC=C2CO1)O,XOQABDOICLHPIS-UHFFFAOYSA-N,Organic compounds,Benzenoids,none,none,Benzenoids,none,none,none,none,none,none
403923,Fumitremorgin C,OtherMutliCpd,Compound,CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C,DBEYVIGIPJSTOR-FHWLQOOXSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
404571,"3'-Hydroxy-3	9-dihydroeucomin",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O,WIBOONWRYQFYQJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
404979,Protoleucomelone,OtherMutliCpd,Compound,CC(=O)OC1=CC=C(C=C1)C2=C(C(=C(C(=C2OC(=O)C)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C,HPFJFTKHDYGPOR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Terphenyls,P-terphenyls,none,none,none,none,none,none
405275,Cyclobrassinone,OtherMutliCpd,Compound,COC1=NC(=O)C2=C(S1)NC3=CC=CC=C32,YCFLCHMHGBXTCU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
411955,2-Pyridiniohydroquinone,OtherMutliCpd,Compound,C1=CC=[N+](C=C1)C2=C(C=CC(=C2)O)O,BYQQTWROSPBRIU-UHFFFAOYSA-O,Organic compounds,Benzenoids,Phenols,Benzenediols,Hydroquinones,none,none,none,none,none,none
417583,5849-56-9,OtherMutliCpd,Compound,C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)C#N)P(=O)(C3=CC=CC=C3)C4=CC=C(C=C4)C#N,LOQRLFDLUYKOGD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzonitriles,Benzonitriles,none,none,none,none,none,none
418709,Deglucoparillin,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)O)C)C)C)OC1,UBMCTHWOOSUTHL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
419220,AC1L9HA2,OtherMutliCpd,Compound,CCN(CC)CCCC(C)N1C=NC2=C1N=CN=C2NCC(CN(CC)CC)O,NFVHSYKZHYVCGE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
422682,(S)-Nandigerine,OtherMutliCpd,Compound,COC1=C(C=CC2=C1C3=C4C(C2)NCCC4=CC5=C3OCO5)O,CFUKKPQRQGCLAT-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
423455,5a-Azonianaphthacene,OtherMutliCpd,Compound,C1=CC=C2C=[N+]3C=C4C=CC=CC4=CC3=CC2=C1,QOYMVZRUELPNJJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,none,Isoquinolines and derivatives,none,none,none,none,none,none
423763,NSC157414,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC3=C(C2C4C(C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C=CC(=C3)O,KNQQILYEXIFLFT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
425400,d-.alpha.-Tocopheryl acid succinate,OtherMutliCpd,Compound,CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,IELOKBJPULMYRW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,none,none,none,none,none,none
426059,Tomatoside A,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O,OFEAYOYKIQKFSK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
426124,conhydrinone,OtherMutliCpd,Compound,CCC(=O)C1CCCCN1,FDOBDBWYWMTMKT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
428040,Ethyl glucoside,OtherMutliCpd,Compound,CCOC1C(C(C(C(O1)CO)O)O)O,WYUFTYLVLQZQNH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
428213,4-amino-N-[3-(dimethylamino)propyl]benzamide,OtherMutliCpd,Compound,CN(C)CCCNC(=O)C1=CC=C(C=C1)N,FEMQIZGAEIBWQU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzamides,none,none,none,none,none
429190,AC1L8MXS,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C,YOQAQNKGFOLRGT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
429906,QUASSIMARIN,OtherMutliCpd,Compound,CCC(C)(C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)OC(=O)C,FXMIXHYJCNZLFE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Quassinoids,none,none,none,none,none,none
432092,Lysinoalanine hydrochloride,OtherMutliCpd,Compound,C(CCNCC(C(=O)O)N)CC(C(=O)O)N,IMSOBGJSYSFTKG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
432116,NSC303791,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C,YURJSTAIMNSZAE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
432448,AC1L8THF,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C,RLDVZILFNVRJTL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
432449,Ginsenoside Re,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O,PWAOOJDMFUQOKB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
432450,NSC308878,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C,NODILNFGTFIURN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
432524,GRb 1,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C,GZYPWOGIYAIIPV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
432620,CHESTANIN,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O,NSFIWSANZNJXLP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
433554,Grandifloric acid,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4O)(C)C(=O)O,GVGJRXSJJHLPGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
433638,PERULACTONE,OtherMutliCpd,Compound,CC1C(COC1=O)CC(C(C)(C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC(=O)C)C)C)O)O,ODRFODNLKCBNIK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
433866,PHYSALOLACTONE,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)Cl)C)O)O)O)C,XCJUXWOCLLPHII-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
434120,Arvensoside D,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)O)C,OGKRHYLZKFTGGO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
434768,CHALCOMORACIN,OtherMutliCpd,Compound,CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O,SEHVRKPXIDOTRX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
435219,NSC365792,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)(C2(CC=C3C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)O)C)O)O)C,IHIHXNCZVACPKN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
435277,Escinidin,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C)O)C)C,AYDKOFQQBHRXEW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
435365,Physapubenolide,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)C2CC(C3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)OC(=O)C)C,OPYWYTLAPWWTKW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
435401,NSC369498,OtherMutliCpd,Compound,C(C(C(=O)O)NCC(=O)O)O,NAALTSITEQTADZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Serine and derivatives,none,none,none,none
435402,Melleolide,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4C3CC(C4)(C)C)C=O)O)C)O)O,SJZRUQOYQZRISL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
436072,NSC382025,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C,IDGXIXSKISLYAC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
439153,NADH,OtherMutliCpd,Compound,C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O,BOPGDPNILDQYTO-NNYOXOHSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
439155,S-adenosylhomocysteine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O,ZJUKTBDSGOFHSH-WFMPWKQPSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,5'-deoxy-5'-thionucleosides,5'-deoxy-5'-thionucleosides,none,none,none,none,none,none
439161,Succinyl CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,VNOYUJKHFWYWIR-FZEDXVDRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439162,sn-Glycerol 3-phosphate,OtherMutliCpd,Compound,C([C@H](COP(=O)(O)O)O)O,AWUCVROLDVIAJX-GSVOUGTGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Glycerophosphates,none,none,none,none,none,none
439164,2-methylacetyl-CoA,OtherMutliCpd,Compound,CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,QAQREVBBADEHPA-UXYNFSPESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439165,glucose 1-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)(O)O)O)O)O)O,HXXFSFRBOHSIMQ-GASJEMHNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
439174,N-Acetyl-D-Glucosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O,OVRNDRQMDRJTHS-RTRLPJTCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
439175,"5	10-methylene-THF",OtherMutliCpd,Compound,C1[C@@H]2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O,QYNUQALWYRSVHF-PZORYLMUSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
439176,Methylthioadenosine,OtherMutliCpd,Compound,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,WUUGFSXJNOTRMR-IOSLPCCCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,5'-deoxy-5'-thionucleosides,5'-deoxy-5'-thionucleosides,none,none,none,none,none,none
439182,5'-deoxyadenosine,OtherMutliCpd,Compound,C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,XGYIMTFOTBMPFP-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,none,5'-deoxyribonucleosides,none,none,none,none,none,none
439190,D-Xylulose 5-phosphate,OtherMutliCpd,Compound,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,FNZLKVNUWIIPSJ-RFZPGFLSSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
439193,ISOMALTOSE,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O,DLRVVLDZNNYCBX-RTPHMHGBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
439194,D-Glyceric acid,OtherMutliCpd,Compound,C([C@H](C(=O)O)O)O,RBNPOMFGQQGHHO-UWTATZPHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
439195,L-Arabinopyranose,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O,SRBFZHDQGSBBOR-HWQSCIPKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
439198,UNII-05ZIE5U7RX,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,NBSCHQHZLSJFNQ-RWOPYEJCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
439202,L-canavanine,OtherMutliCpd,Compound,C(CON=C(N)N)[C@@H](C(=O)O)N,FSBIGDSBMBYOPN-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439204,D-Lyxulose,OtherMutliCpd,Compound,C1[C@H]([C@@H](C(O1)(CO)O)O)O,LQXVFWRQNMEDEE-OVEKKEMJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
439211,GDP-L-fucose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H](C(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O,LQEBEXMHBLQMDB-QIXZNPMTSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
439214,acetoacetyl-coenzyme a,OtherMutliCpd,Compound,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,OJFDKHTZOUZBOS-XBTRWLRFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
439216,L-Dihydroorotic acid,OtherMutliCpd,Compound,C1[C@H](NC(=O)NC1=O)C(=O)O,UFIVEPVSAGBUSI-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
439218,HMG-CoA,OtherMutliCpd,Compound,C[C@](CC(=O)O)(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,CABVTRNMFUVUDM-MIGRVSMKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,3-hydroxy-3-alkylglutaryl CoAs,none,none,none,none
439219,N-Acetylglucosamine 6-phosphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,BRGMHAYQAZFZDJ-PVFLNQBWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
439220,dGDP,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)O)O,CIKGWCTVFSRMJU-KVQBGUIXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside diphosphates,Purine 2'-deoxyribonucleoside diphosphates,none,none,none,none,none
439227,l-Pipecolic acid,OtherMutliCpd,Compound,C1CCN[C@@H](C1)C(=O)O,HXEACLLIILLPRG-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439229,Stearoyl coenzyme A,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,SIARJEKBADXQJG-KBEKLFCESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
439231,(S)-lactaldehyde,OtherMutliCpd,Compound,C[C@@H](C=O)O,BSABBBMNWQWLLU-VKHMYHEASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydroxyaldehydes,none,none,none,none,none
439232,N-acetylornithine,OtherMutliCpd,Compound,CC(=O)N[C@@H](CCCN)C(=O)O,JRLGPAXAGHMNOL-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
439233,FORMIMINOGLUTAMIC ACID,OtherMutliCpd,Compound,C(CC(=O)O)[C@@H](C(=O)O)N=CN,NRXIKWMTVXPVEF-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
439234,5-methyl-tetrahydrofolate,OtherMutliCpd,Compound,CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O,ZNOVTXRBGFNYRX-ZGTCLIOFSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
439235,(S)-2-Amino-4-oxobutanoic acid,OtherMutliCpd,Compound,C(C=O)[C@@H](C(=O)O)N,HOSWPDPVFBCLSY-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439238,"(1R	2R)-1-hydroxypropane-1	2	3-tricarboxylic acid",OtherMutliCpd,Compound,C([C@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,ODBLHEXUDAPZAU-VVJJHMBFSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
439244,CDP-glucose,OtherMutliCpd,Compound,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,CGPHZDRCVSLMCF-JZMIEXBBSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
439246,naringenin,OtherMutliCpd,Compound,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,FTVWIRXFELQLPI-ZDUSSCGKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
439248,Benzoyl CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O,VEVJTUNLALKRNO-VBDPZXIHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439252,Glutaryl CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O,SYKWLIJQEHRDNH-KRPIADGTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
439254,Itaconoyl CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(=O)O)O,NFVGYLGSSJPRKW-XBTRWLRFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439255,L-arabitol,OtherMutliCpd,Compound,C([C@@H](C([C@H](CO)O)O)O)O,HEBKCHPVOIAQTA-IMJSIDKUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
439260,norepinephrine,Drug,Compound,C1=CC(=C(C=C1[C@H](CN)O)O)O,SFLSHLFXELFNJZ-QMMMGPOBSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
439263,(+)-Neomenthol,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C,NOOLISFMXDJSKH-UTLUCORTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
439269,(S)-Ureidoglycolate,OtherMutliCpd,Compound,[C@H](C(=O)O)(NC(=O)N)O,NWZYYCVIOKVTII-SFOWXEAESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-carbamoyl-alpha amino acids and derivatives,N-carbamoyl-alpha amino acids,none,none,none
439270,3-sulfino- Alanine,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)S(=O)=O,WVMUCBHSEHBMKA-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439271,N-acetyllactosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O,KFEUJDWYNGMDBV-LODBTCKLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
439273,3-dehydro-L-gulonate,OtherMutliCpd,Compound,C([C@@H]([C@H](C(=O)[C@@H](C(=O)O)O)O)O)O,WTAHRPBPWHCMHW-LWKDLAHASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
439278,2-Phospho-D-Glyceric Acid,OtherMutliCpd,Compound,C([C@H](C(=O)O)OP(=O)(O)O)O,GXIURPTVHJPJLF-UWTATZPHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
439283,14289-34-0,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N,GMKMEZVLHJARHF-WHFBIAKZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439291,CH3-malonyl-CoA,OtherMutliCpd,Compound,C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MZFOKIKEPGUZEN-PNEPRAIJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439296,xanthosine 5'-triphosphate,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O,CAEFEWVYEZABLA-UUOKFMHZSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside triphosphates,none,none,none,none,none,none
439302,OXYTOCIN,Drug,Compound,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,XNOPRXBHLZRZKH-DSZYJQQASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
439313,"Coenzyme A	 S-formate",OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC=O)O,SXMOKYXNAPLNCW-BWGWEBPHSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside bisphosphates,Purine ribonucleoside 3'--5'-bisphosphates,Coenzyme A and derivatives,none,none,none,none
439314,(R)-acetoin,OtherMutliCpd,Compound,C[C@H](C(=O)C)O,ROWKJAVDOGWPAT-GSVOUGTGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Acyloins,none,none,none,none,none,none
439316,dopaquinone,OtherMutliCpd,Compound,C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N,AHMIDUVKSGCHAU-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439330,6-deoxy-L-sorbose,OtherMutliCpd,Compound,C[C@@H]([C@H]([C@@H](C(=O)CO)O)O)O,QZNPNKJXABGCRC-OTWZMJIISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
439335,Dephospho-coenzyme A,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O,KDTSHFARGAKYJN-DRCCLKDXSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside diphosphates,none,none,none,none,none,none
439337,Valeryl CoA,OtherMutliCpd,Compound,CCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,RXUATCUKICAIOA-TVCSPYKZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
439340,Acrylyl coenzyme A,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=C)O,POODSGUMUCVRTR-UXYNFSPESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439341,alpha-Maltose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,GUBGYTABKSRVRQ-ASMJPISFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
439350,D-Lactaldehyde,OtherMutliCpd,Compound,C[C@H](C=O)O,BSABBBMNWQWLLU-GSVOUGTGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydroxyaldehydes,none,none,none,none,none
439351,3-dehydroquinic acid,OtherMutliCpd,Compound,C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O,WVMWZWGZRAXUBK-SYTVJDICSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,Alpha hydroxy acids and derivatives,none,none,none,none,none,none
439353,beta-D-galactose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,WQZGKKKJIJFFOK-FPRJBGLDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
439357,alpha-D-galactose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,WQZGKKKJIJFFOK-PHYPRBDBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
439358,5-Aminopentanamide,OtherMutliCpd,Compound,C(CCN)CC(=O)N,OTIAVLWNTIXJDO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Delta amino acids and derivatives,none,none,none,none,none
439371,(S)-2-methylbutyryl-CoA,OtherMutliCpd,Compound,CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,LYNVNYDEQMMNMZ-PCLZRLGGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439373,L-Gulonolactone,OtherMutliCpd,Compound,C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O,SXZYCXMUPBBULW-SKNVOMKLSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
439375,N-Carbamoylsarcosine,OtherMutliCpd,Compound,CN(CC(=O)O)C(=O)N,SREKYKXYSQMOIB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
439376,N-Formyl-L-glutamic acid,OtherMutliCpd,Compound,C(CC(=O)O)[C@@H](C(=O)O)NC=O,ADZLWSMFHHHOBV-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
439391,(2R)-2-hydroxypentanedioic acid,OtherMutliCpd,Compound,C(CC(=O)O)[C@H](C(=O)O)O,HWXBTNAVRSUOJR-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Short-chain hydroxy acids and derivatives,Short-chain hydroxy acids and derivatives,none,none,none,none,none,none
439396,D-tagatose 6-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H](C(O1)(CO)O)O)O)OP(=O)(O)O,BGWGXPAPYGQALX-OEXCPVAWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
439400,mevalonate-P,OtherMutliCpd,Compound,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,OKZYCXHTTZZYSK-ZCFIWIBFSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Alkyl phosphates,Monoalkyl phosphates,none,none,none,none,none
439402,5-Amino-2-oxopentanoic acid,OtherMutliCpd,Compound,C(CC(=O)C(=O)O)CN,BWHGMFYTDQEALD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
439415,S-adenosylmethioninamine,OtherMutliCpd,Compound,C[S+](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,ZUNBITIXDCPNSD-LSRJEVITSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,5'-deoxy-5'-thionucleosides,5'-deoxy-5'-thionucleosides,none,none,none,none,none,none
439417,L-beta-lysine,OtherMutliCpd,Compound,C(C[C@@H](CC(=O)O)N)CN,QKEWQOJCHPFEAF-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
439418,(R)-5-Diphosphomevalonate,OtherMutliCpd,Compound,C[C@@](CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O,SIGQQUBJQXSAMW-ZCFIWIBFSA-N,Organic compounds,Organic oxygen compounds,Organic oxoanionic compounds,Organic pyrophosphates,Organic pyrophosphates,none,none,none,none,none,none
439423,7-Dehydrocholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,UCTLRSWJYQTBFZ-DDPQNLDTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
439425,(S)-Succinyldihydrolipoamide,OtherMutliCpd,Compound,C(CCC(=O)N)C[C@H](CCS)SC(=O)CCC(=O)O,RJCJWONCSKSHES-SECBINFHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Thia fatty acids,none,none,none,none,none,none
439427,beta-D-Glucose 6-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,NBSCHQHZLSJFNQ-VFUOTHLCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
439430,"(3S	5S)-3	5-diaminohexanoate",OtherMutliCpd,Compound,C[C@@H](C[C@@H](CC(=O)O)N)N,NGDLSXMSQYUVSJ-WHFBIAKZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
439434,(S)-3-amino-2-methylpropanoic acid,OtherMutliCpd,Compound,C[C@@H](CN)C(=O)O,QCHPKSFMDHPSNR-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
439435,"3	4-Dihydroxyphenyllactic acid",OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)O)O)O,PAFLSMZLRSPALU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
439446,GDP-4-dehydro-D-rhamnose,OtherMutliCpd,Compound,C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O,PNHLMHWWFOPQLK-BKUUWRAGSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
439452,6-phosphogluconolactone,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)OP(=O)(O)O,IJOJIVNDFQSGAB-SQOUGZDYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
439454,2-acetamido-2-deoxy-beta-D-glucopyranosylamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O,MCGXOCXFFNKASF-FMDGEEDCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
439455,"D-myo-Inositol 1	3	4-trisphosphate",OtherMutliCpd,Compound,[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,MMWCIQZXVOZEGG-MLQGYMEPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
439456,"inositol 1	4	5-trisphosphate",OtherMutliCpd,Compound,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,MMWCIQZXVOZEGG-XJTPDSDZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
439459,Homocitric acid,OtherMutliCpd,Compound,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,XKJVEVRQMLKSMO-SSDOTTSWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
439460,"3-Hydroxy-N6	N6	N6-trimethyl-L-lysine",OtherMutliCpd,Compound,C[N+](C)(C)CCCC([C@@H](C(=O)O)N)O,ZRJHLGYVUCPZNH-MQWKRIRWSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439479,"3	7	12-Trihydroxycholestan-26-al",OtherMutliCpd,Compound,C[C@H](CCCC(C)C=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,USFJGINJGUIFSY-XZULNKEGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
439488,Didp,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP(=O)(O)OP(=O)(O)O)O,BKUSIKGSPSFQAC-RRKCRQDMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside diphosphates,Purine 2'-deoxyribonucleoside diphosphates,none,none,none,none,none
439498,Cysteinylglycine,OtherMutliCpd,Compound,C([C@@H](C(=O)NCC(=O)O)N)S,ZUKPVRWZDMRIEO-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
439503,salicin,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,NGFMICBWJRZIBI-UJPOAAIJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
439512,Nigerose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2O)O)CO)O)O)O)O)O,QIGJYVCQYDKYDW-NSYYTRPSSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
439542,Bacillichin,OtherMutliCpd,Compound,CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)[C@H](C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,MNJKVJAYSVAQLU-YOJCIBLDSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
439549,"(2S)-5	6-dioxo-2	4-dihydro-1H-indole-2-carboxylic acid",OtherMutliCpd,Compound,C1C2=C[C@H](NC2=CC(=O)C1=O)C(=O)O,CKZOQLKEDKSKJR-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
439552,AC1L97KT,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O,WOHYVFWWTVNXTP-TWOHWVPZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,C-glycosyl compounds,none,none,none,none,none
439570,(-)-Carvone,OtherMutliCpd,Compound,CC1=CC[C@H](CC1=O)C(=C)C,ULDHMXUKGWMISQ-SECBINFHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
439573,AC1L97M2,OtherMutliCpd,Compound,CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CC[C@@H]5C4([C@H](C[C@H]6C5[C@@H](CC7C6(CC[C@H](C7)O)C)O)O)C,ZKWNOTQHFKYUNU-TVKZAFKCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
439574,L-threo-aldose,OtherMutliCpd,Compound,C1[C@H]([C@H](C(O1)O)O)O,FMAORJIQYMIRHF-HERZVMAMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
439577,DESMOSTEROL,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,AVSXSVCZWQODGV-DPAQBDIFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
439597,AC1L97NQ,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N)NC(=O)N2,XFLVBMBRLSCJAI-ZXFLCMHBSA-N,Organic compounds,Organoheterocyclic compounds,Biotin and derivatives,none,Biotin and derivatives,none,none,none,none,none,none
439600,D-Asparagine,OtherMutliCpd,Compound,C([C@H](C(=O)O)N)C(=O)N,DCXYFEDJOCDNAF-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Asparagine and derivatives,none,none,none,none
439607,Nonanoyl CoA,OtherMutliCpd,Compound,CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,WLDUTYVSAGSKIV-YUXRTGJASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
439614,HMDB03585,OtherMutliCpd,Compound,C([C@H](C(=O)O)N)SS,XBKONSCREBSMCS-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
439616,17199-29-0,OtherMutliCpd,Compound,C1=CC=C(C=C1)[C@@H](C(=O)O)O,IWYDHOAUDWTVEP-ZETCQYMHSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
439631,Dihydrozeatin,OtherMutliCpd,Compound,C[C@@H](CCNC1=NC=NC2=C1NC=N2)CO,XXFACTAYGKKOQB-ZETCQYMHSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
439635,Gibberellin A20,OtherMutliCpd,Compound,CC12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O,OXFPYCSNYOFUCH-LUGKBOQRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
439640,phytanoyl-CoA,OtherMutliCpd,Compound,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NRJQGHHZMSOUEN-IYJVDCLDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
439650,beta-D-Fucose,OtherMutliCpd,Compound,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,SHZGCJCMOBCMKK-FPRJBGLDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
439655,d-Tartaric acid,OtherMutliCpd,Compound,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,FEWJPZIEWOKRBE-LWMBPPNESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
439658,3-Oxohexanoic acid,OtherMutliCpd,Compound,CCCC(=O)CC(=O)O,BDCLDNALSPBWPQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
439691,D-2-Aminobutyric acid,OtherMutliCpd,Compound,CC[C@H](C(=O)O)N,QWCKQJZIFLGMSD-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,D-alpha-amino acids,none,none,none
439692,D-Xylonolactone,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O,XXBSUZSONOQQGK-FLRLBIABSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
439693,pentostatin,Drug,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O,FPVKHBSQESCIEP-JQCXWYLXSA-N,Organic compounds,Organoheterocyclic compounds,Imidazodiazepines,none,Imidazodiazepines,none,none,none,none,none,none
439694,Digalacturonic acid,OtherMutliCpd,Compound,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O,IGSYEZFZPOZFNC-LKIWRGPLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
439708,beta-Alanyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCN)O,RUWSXZUPLIXLGD-UXYNFSPESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439709,beta-D-fructofuranose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,RFSUNEUAIZKAJO-ARQDHWQXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,C-glycosyl compounds,none,none,none,none,none
439717,3-Oxododecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCC(=O)CC(=O)O,DZHSPYMHDVROSM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
439733,(-)-Isopiperitenone,OtherMutliCpd,Compound,CC1=CC(=O)[C@H](CC1)C(=C)C,SEZLYIWMVRUIKT-SECBINFHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
439734,(s)-3-amino-4-methylpentanoic acid,OtherMutliCpd,Compound,CC(C)[C@H](CC(=O)O)N,GLUJNGJDHCTUJY-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
439744,3-Iodo-L-tyrosine,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O,UQTZMGFTRHFAAM-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
439784,Dihydrobiochanin A,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O,XPZQBSCTDLGDBP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
439795,N-(5-phospho-D-ribosyl)-AMP,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN(C2=N)[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,RTQMRTSPTLIIHM-ZTRAZTMKSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
439804,2-Deoxygalactopyranose,OtherMutliCpd,Compound,C1[C@H]([C@H]([C@H](OC1O)CO)O)O,PMMURAAUARKVCB-DUVQVXGLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
439829,Butyrylcarnitine,OtherMutliCpd,Compound,CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,QWYFHHGCZUCMBN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
439837,L-Sorbose 1P,OtherMutliCpd,Compound,C([C@@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O,ZKLLSNQJRLJIGT-OTWZMJIISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
439846,"(S)-(+)-1	2-Propanediol",OtherMutliCpd,Compound,C[C@@H](CO)O,DNIAPMSPPWPWGF-VKHMYHEASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
439853,3-Ketosphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)[C@H](CO)N,KBUNOSOGGAARKZ-KRWDZBQOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Beta-hydroxy ketones,none,none,none,none,none
439855,Isovaleryl CoA,OtherMutliCpd,Compound,CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,UYVZIWWBJMYRCD-TVCSPYKZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439862,AC1L986U,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)O)O,LTVXPVBFJBTNIJ-VBDPZXIHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439869,3-methylcrotonyl-CoA,OtherMutliCpd,Compound,CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C,BXIPALATIYNHJN-TVCSPYKZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
439871,Fuculose 1-phosphate,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O,PTVXQARCLQPGIR-DHVFOXMCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
439903,5-acetamidopentanoic acid,OtherMutliCpd,Compound,CC(=O)NCCCCC(=O)O,TZZSWAXSIGWXOS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
439912,GDP-D-rhamnose,OtherMutliCpd,Compound,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O,LQEBEXMHBLQMDB-GDJBGNAASA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
439918,Guanidinosuccinic acid,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N=C(N)N)C(=O)O,VVHOUVWJCQOYGG-REOHCLBHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
439922,2-[(carboxyacetyl)amino]benzoic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)NC(=O)CC(=O)O,ZDSSCYCDBASEJQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
439924,nicotinamide riboside,OtherMutliCpd,Compound,C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,JLEBZPBDRKPWTD-TURQNECASA-O,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
439939,(2S)-2-hydroxypentanedioic acid,OtherMutliCpd,Compound,C(CC(=O)O)[C@@H](C(=O)O)O,HWXBTNAVRSUOJR-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Short-chain hydroxy acids and derivatives,Short-chain hydroxy acids and derivatives,none,none,none,none,none,none
439943,Alanopine,OtherMutliCpd,Compound,CC(C(=O)O)NC(C)C(=O)O,FIOHTMQGSFVHEZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
439954,6-amino-2-oxohexanoic acid,OtherMutliCpd,Compound,C(CCN)CC(=O)C(=O)O,GWENQMVPLJAMAE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
439957,ADP-ribose 2'-phosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)OP(=O)(O)O,OCOLIMYIUOUURJ-ZQSHOCFMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
439960,(R)-2-Hydroxy-4-methylpentanoic acid,OtherMutliCpd,Compound,CC(C)C[C@H](C(=O)O)O,LVRFTAZAXQPQHI-RXMQYKEDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
439963,5-oxopentanoic acid,OtherMutliCpd,Compound,C(CC=O)CC(=O)O,VBKPPDYGFUZOAJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Straight chain fatty acids,none,none,none,none,none,none
439990,Sequoyitol,OtherMutliCpd,Compound,COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O,DSCFFEYYQKSRSV-MVWKSXLKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
440018,S-D-lactoylglutathione,OtherMutliCpd,Compound,C[C@H](C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,VDYDCVUWILIYQF-CSMHCCOUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
440021,methacrylyl CoA,OtherMutliCpd,Compound,CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NPALUEYCDZWBOV-NNYIDDMCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
440033,L-2-Amino-3-oxobutanoic acid,OtherMutliCpd,Compound,CC(=O)[C@@H](C(=O)O)N,SAUCHDKDCUROAO-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
440043,1D-myo-inositol 4-phosphate,OtherMutliCpd,Compound,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,INAPMGSXUVUWAF-GFWFORPUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
440045,3-hydroxybutyryl-CoA,OtherMutliCpd,Compound,C[C@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,QHHKKMYHDBRONY-JYMPOPDUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,(R)-3-hydroxyacyl CoAs,none,none,none,none
440046,"3	4-Dihydro-2H-pyrrole-5-carboxylic acid",OtherMutliCpd,Compound,C1CC(=NC1)C(=O)O,RHTAIKJZSXNELN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolines,none,Pyrrolines,none,none,none,none,none,none
440047,2'-Hydroxydihydrodaidzein,OtherMutliCpd,Compound,C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O,WBOWBLGZAXVREM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
440071,Taurolithocholate sulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C,HSNPMXROZIQAQD-GBURMNQMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
440072,AC1L98MD,OtherMutliCpd,Compound,C(CC(=O)NC(CSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O)C(C(=O)O)N,GOZJYXJJQVGDOJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
440073,"cis-3	4-Leucopelargonidin",OtherMutliCpd,Compound,C1=CC(=CC=C1[C@@H]2[C@H]([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O,FSVMLWOLZHGCQX-SOUVJXGZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Leucoanthocyanidins,none,none,none,none,none,none
440077,(S)-5-amino-3-oxohexanoate,OtherMutliCpd,Compound,C[C@@H](CC(=O)CC(=O)O)N,FAASBXNEOGMQHS-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
440078,bornesitol,OtherMutliCpd,Compound,COC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O,DSCFFEYYQKSRSV-DQUUFWEPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
440082,2-hydroxy-1-(4-hydroxyphenyl)ethanone,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)CO)O,KLAKIAVEMQMVBT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
440103,gamma-Glutamylalanine,OtherMutliCpd,Compound,C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N,WQXXXVRAFAKQJM-WHFBIAKZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
440105,"(8S	9S	10R	11R	13S	14S)-17-acetyl-11-hydroxy-10	13-dimethyl-1	2	6	7	8	9	11	12	14	15	16	17-dodecahydrocyclopenta[a]phenanthren-3-one",OtherMutliCpd,Compound,CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C,BFZHCUBIASXHPK-ODYOLWGQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
440113,2-(4-Hydroxyphenyl)acetaldehyde,OtherMutliCpd,Compound,C1=CC(=CC=C1CC=O)O,IPRPPFIAVHPVJH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
440114,Etiocholanedione,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,RAJWOBJTTGJROA-QJISAEMRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
440117,"D-Tagatose 1	6-bisphosphate",OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,RNBGYGVWRKECFJ-OEXCPVAWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
440120,"N6	N6	N6-Trimethyl-L-lysine",OtherMutliCpd,Compound,C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N,MXNRLFUSFKVQSK-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
440122,Adenylsuccinic acid,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)NC(CC(=O)O)C(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,OFBHPPMPBOJXRT-DPXQIYNJSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
440127,Stearoylglycerone phosphate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O,GTPATKZCXDKGQS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Glycerone and derivatives,Glycerone phosphates,O-acylglycerone-phosphates,none,none,none
440194,Inositol 3-phosphate,OtherMutliCpd,Compound,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O,INAPMGSXUVUWAF-LXOASSSBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
440197,4-O-Acetyl-N-acetylneuraminic acid,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)O)(C(=O)O)O)OC(=O)C,LVBIMVQYUKOENY-FODKYPIKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
440211,"Inositol 3	4-bisphosphate",OtherMutliCpd,Compound,[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O,MCKAJXMRULSUKI-CNWJWELYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
440217,D-Pantothenoyl-L-cysteine,OtherMutliCpd,Compound,CC(C)(CO)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O,QSYCTARXWYLMOF-CBAPKCEASA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
440219,UDP-4-dehydro-6-deoxy-D-glucose,OtherMutliCpd,Compound,C[C@@H]1C(=O)[C@@H]([C@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O,DDWGQQADOIMFOI-XRTQJECLSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
440221,"1-O	6-O-Digalloyl-beta-D-glucose",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O,LYGRISUQIZNHGM-IVABAYMNSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
440235,N-Acetyl-D-glucosamine 6-sulfate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O,WJFVEEAIYIOATH-FMDGEEDCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
440236,N-Acetyl-L-glutamyl 5-phosphate,OtherMutliCpd,Compound,CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O,FCVIHFVSXHOPSW-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
440266,(R)-octopamine,OtherMutliCpd,Compound,C1=CC(=CC=C1[C@H](CN)O)O,QHGUCRYDKWKLMG-QMMMGPOBSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
440267,AC1L9908,OtherMutliCpd,Compound,C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)O,UJTMIRNFEXKGMS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
440272,N-Acetyl-D-glucosamine 1-phosphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)(O)O)CO)O)O,FZLJPEPAYPUMMR-RTRLPJTCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
440273,CHEBI:62165,OtherMutliCpd,Compound,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,BRGMHAYQAZFZDJ-UOLFYFMNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
440279,"(R)-2	3-Dihydroxy-isovalerate",OtherMutliCpd,Compound,CC(C)([C@H](C(=O)O)O)O,JTEYKUFKXGDTEU-VKHMYHEASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
440282,1-Pyrroline-4-hydroxy-2-carboxylate,OtherMutliCpd,Compound,C1C(CN=C1C(=O)O)O,AOMLMYXPXUTBQH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolines,none,Pyrrolines,none,none,none,none,none,none
440302,malyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C[C@@H](C(=O)O)O)O,HJQWLHMLMCDAEL-NALABAGVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,(R)-3-hydroxyacyl CoAs,none,none,none,none
440304,Pantothenylcysteine 4'-phosphate,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O,XQYALQVLCNHCFT-CBAPKCEASA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
440311,3-amino-3-(4-hydroxyphenyl)propanoic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(CC(=O)O)N)O,JYPHNHPXFNEZBR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
440312,3-Sulfanyl-2-(sulfanylmethyl)propanoic acid,OtherMutliCpd,Compound,C(C(CS)C(=O)O)S,KRHAHEQEKNJCSD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
440322,XppppX,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=O)NC6=O)O)O)O)O)NC(=O)NC2=O,PNTZPNDMKHCLNV-MHARETSRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
440326,2-methyl-3-hydroxybutyryl-CoA,OtherMutliCpd,Compound,C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,PEKYNTFSOBAABV-SYASONGASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,(S)-3-hydroxyacyl CoAs,none,none,none,none
440342,2-(3-Carboxy-3-aminopropyl)-L-histidine,OtherMutliCpd,Compound,C1=C(NC(=N1)CCC(C(=O)O)N)C[C@@H](C(=O)O)N,CJCSNWWKPUXVRD-MLWJPKLSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
440345,4alpha-Methyl-5alpha-cholest-7-en-3-one,OtherMutliCpd,Compound,C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C)[C@H](C)CCCC(C)C,OWKGVPXWOHLTSL-LIUJFMQASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
440349,N-Succinyl-L-2-amino-6-oxopimelate,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CC(=O)C(=O)O,SDVXSCSNVVZWDD-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
440357,"5-(4-hydroxybut-1-ynyl)-2	2'-bithiophene",OtherMutliCpd,Compound,C1=CSC(=C1)C2=CC=C(S2)C#CCCO,ASKPCVROMAYWEF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Bi- and oligothiophenes,none,Bi- and oligothiophenes,none,none,none,none,none,none
440368,652-69-7,OtherMutliCpd,Compound,C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O,MASCESDECGBIBB-HNXXTFFGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
440403,Ichiba acid,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)C(=O)O)C(=O)O,LVJJEIJOKPHQOU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
440417,5'-phosphoribosylformylglycinamidine,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H]([C@@H](O1)N=C(CNC=O)N)O)O)OP(=O)(O)O,PMCOGCVKOAOZQM-XVFCMESISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
440420,"3a	7a-Dihydroxy-5b-cholestanoyl-CoA",OtherMutliCpd,Compound,CC(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C,SBYLHTNKEWSLBA-CPRJDYHCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
440431,D-erythro-Imidazole-glycerol phosphate,OtherMutliCpd,Compound,C1=C(NC=N1)[C@@H]([C@@H](COP(=O)(O)O)O)O,HFYBTHCYPKEDQQ-RITPCOANSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Alkyl phosphates,Monoalkyl phosphates,none,none,none,none,none
440443,1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium,OtherMutliCpd,Compound,C[NH2+]C(CCC1=NC=C(N1)C[C@@H](C(=O)O)N)C(=O)O,YBMOTEQVMANKGX-JAMMHHFISA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
440453,Nuatigenin,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CC[C@@](O6)(C)CO,NELZMZLNTYWIPD-MLBSDYKWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Furospirostanes and derivatives,Furospirostanes and derivatives,none,none,none,none,none,none
440454,Asparagoside A,OtherMutliCpd,Compound,C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1,ZNEIIZNXGCIAAL-TXUJEBAWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
440551,l-phosphoarginine,OtherMutliCpd,Compound,C(CC(C(=O)O)N)CN=C(N)NP(=O)(O)O,CCTIOCVIZPCTGO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
440552,beta-GalNAc,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,OVRNDRQMDRJTHS-JAJWTYFOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
440558,7-Dehydrodesmosterol,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,RUSSPKPUXDSHNC-DDPQNLDTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
440560,"24	25-Dihydrolanosterol",OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,MBZYKEVPFYHDOH-BQNIITSRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
440564,AC1L99J0,OtherMutliCpd,Compound,CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)N,CCSDHAPTHIKZLY-LRJFFYKASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
440567,N-choloyl-taurine,OtherMutliCpd,Compound,CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C,WBWWGRHZICKQGZ-BKXUXKPJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
440568,2-Hydroxyethyl-ThPP,OtherMutliCpd,Compound,CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O,RRUVJGASJONMDY-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
440569,Ribosylimidazole acetic acid,OtherMutliCpd,Compound,C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O,AHPWEWASPTZMEK-PEBGCTIMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole ribonucleosides and ribonucleotides,none,Imidazole ribonucleosides and ribonucleotides,none,none,none,none,none,none
440574,"16alpha-Hydroxyandrost-4-ene-3	17-dione",OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C,SSBCZTXGVMMZOT-NBBHSKLNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
440591,(S)-3'-Hydroxy-N-methylcoclaurine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)O)O)O)OC,DAUPWJBRVZCBQB-AWEZNQCLSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
440600,(S)-3-Hydroxyhexadecanoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,DEHLMTDDPWDRDR-QQOJFMBSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
440601,3-Oxopalmitoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NQMPLXPCRJOSHL-TZIIWEFPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
440602,AC1L99M3,OtherMutliCpd,Compound,CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,OXBHKMHNDGRDCZ-UOBIXJHKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
440603,(S)-3-Hydroxydodecanoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,IJFLXRCJWPKGKJ-AGWWUHEJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,(S)-3-hydroxyacyl CoAs,none,none,none,none
440604,78303-19-2,OtherMutliCpd,Compound,CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,HQANBZHVWIDNQZ-IIZVUBDFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
440606,50411-91-1,OtherMutliCpd,Compound,CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,AZCVXMAPLHSIKY-BOJFXZHGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
440608,54684-64-9,OtherMutliCpd,Compound,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,WPIVBCGRGVNDDT-FFJUWABQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
440609,(S)-Hydroxyhexanoyl-CoA,OtherMutliCpd,Compound,CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,VAAHKRMGOFIORX-DWUFXMDISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,(S)-3-hydroxyacyl CoAs,none,none,none,none
440610,ketohexanoyl-CoA,OtherMutliCpd,Compound,CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NFOYYXQAVVYWKV-ZOGSZLKASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
440611,AC1L99MU,OtherMutliCpd,Compound,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,OEXFMSFODMQEPE-ZOGSZLKASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
440615,decanoyl CoA,OtherMutliCpd,Compound,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,CNKJPHSEFDPYDB-BOJFXZHGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
440623,2-HYDROXYESTRONE,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)O,SWINWPBPEKHUOD-JPVZDGGYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
440624,2-METHOXYESTRONE,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O,WHEUWNKSCXYKBU-QPWUGHHJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
440636,AC1L99NX,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CC=C(C=C4)O)O,GPCAQTOAAYEBGJ-FFJUWABQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
440641,beta-D-Fructose 6-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,BGWGXPAPYGQALX-ARQDHWQXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
440649,3-Carboxy-1-hydroxypropyl-ThPP,OtherMutliCpd,Compound,CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,ZWUKRGPVMMTMAF-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
440650,D-glucuronic acid 1-phosphate,OtherMutliCpd,Compound,[C@@H]1([C@@H]([C@H](OC([C@@H]1O)OP(=O)(O)O)C(=O)O)O)O,AIQDYKMWENWVQJ-AQKNRBDQSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
440653,3-keto-beta-D-galactose,OtherMutliCpd,Compound,C([C@@H]1[C@@H](C(=O)[C@H]([C@@H](O1)O)O)O)O,APIQNBNBIICCON-FKMSRSAHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
440655,Melibiitol,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,PYZZIILDSAJNLZ-QZNPSGCDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
440656,Epimelibiose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O,DLRVVLDZNNYCBX-OVEBFGLASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
440658,melibiose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O,DLRVVLDZNNYCBX-ABXHMFFYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
440659,3-Ketolactose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O[C@H]2[C@@H](C(=O)[C@H]([C@H](O2)CO)O)O)O,HKKHTABTHSUDBP-ILXILVFVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Disaccharides,none,none,none,none,none,none
440670,C05439,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,PKEPPDGGTSZLBL-FZAJRYLSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
440675,AC1L99QR,OtherMutliCpd,Compound,CC(CCC(C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C,SZBMUAIJWNJARR-ATZLTZGYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
440676,"3a	7a-Dihydroxy-5b-24-oxocholestanoyl-CoA",OtherMutliCpd,Compound,CC(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C,QWTJBRPOHKIMDT-XWFLEUKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
440677,"3a	7a	12a	24-Tetrahydroxy-5b-cholestanoyl-CoA",OtherMutliCpd,Compound,CC(CCC(C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O)C4CCC5C4([C@H](CC6C5[C@@H](C[C@H]7C6(CC[C@H](C7)O)C)O)O)C,PXHZOQNODUPJKC-QVXJXFLKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
440685,Chenodeoxyglycocholoate,OtherMutliCpd,Compound,CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C,IIWDDMINEZBCTG-ILLDALFMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
440690,"3a	7a	12a-Trihydroxy-5b-24-oxocholestanoyl-CoA",OtherMutliCpd,Compound,CC(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CC[C@@H]5C4([C@H](C[C@H]6C5[C@@H](C[C@H]7C6(CC[C@H](C7)O)C)O)O)C,AWLXQJGPNLCTLM-XFQWJXLTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
440695,AC1L99RV,OtherMutliCpd,Compound,CC12CC[C@H](CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O)O,YWTDWORQGPLRLL-NDCWLUSSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
440708,AC1L99SY,OtherMutliCpd,Compound,CC12CCC(CC1=CCC3C2C(CC4(C3CC[C@@]4(C(=O)CO)O)C)O)O,HAFVWTUQBYRPOB-QGGNSXJXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
440711,20a-hydroxy cholesterol,OtherMutliCpd,Compound,CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,MCKLJFJEQRYRQT-MGNSQDQZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
440717,sulfopyruvate,OtherMutliCpd,Compound,C(C(=O)C(=O)O)S(=O)(=O)O,BUTHMSUEBYPMKJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Alpha-keto acids and derivatives,Alpha-keto acids and derivatives,none,none,none,none,none,none
440729,3-Methoxy-4-hydroxyphenylglycolaldehyde,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(C=O)O)O,VISAJVAPYPFKCL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
440731,4-Hydroxyphenylacetylglutamate,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(=O)NC(CCC(=O)O)C(=O)O)O,CYRKYXZJUIBBJX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
440732,p-Hydroxyphenylacetylglycine,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(=O)NCC(=O)O)O,CPPDWYIPKSSNNM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
440735,ERIODICTYOL,OtherMutliCpd,Compound,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O,SBHXYTNGIZCORC-ZDUSSCGKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
440738,"4	6-Dihydroxyquinoline",OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=O)C=CN2,XFALURCRIGINGT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroxyquinolones,none,none,none,none,none,none
440741,"4-(2-Amino-3-hydroxyphenyl)-2	4-dioxobutanoate",OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)N)C(=O)CC(=O)C(=O)O,YCJNYHCCOXVYAF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
440743,Formyl-5-hydroxykynurenamine,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)C(=O)CCN)NC=O,CKAXPTWYSHDIBN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
440744,5-Hydroxy-N-formylkynurenine,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)C(=O)CC(C(=O)O)N)NC=O,LSTOUSIIVKMJBU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
440745,5-Hydroxykynurenine,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)C(=O)CC(C(=O)O)N)N,OTDQYOVYQQZAJL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
440752,6-Hydroxykynurenic acid,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=O)C=C(N2)C(=O)O,CQUUHDQRJWXDPY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
440753,3-Hydroxypropionyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCO)O,BERBFZCUSMQABM-UXYNFSPESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
440758,Adenylylselenate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[Se](=O)(=O)O)O)O,XCADVMZZFPIERR-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
440760,AC1L99WS,OtherMutliCpd,Compound,C[Se]CC(C(=O)O)NC(=O)CCC(C(=O)O)N,IEFQLTYCECVOLL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
440763,Se-selenocysteine,OtherMutliCpd,Compound,C(C[SeH])C(C(=O)O)N,RCWCGLALNCIQNM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
440775,Uroporphyrinogen I,OtherMutliCpd,Compound,C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O,QTTNOSKSLATGQB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
440776,Coproporphyrinogen I,OtherMutliCpd,Compound,CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O,WIUGGJKHYQIGNH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
440780,"N1-(alpha-D-ribosyl)-5	6-dimethyl-benzimidazole",OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@H](O3)CO)O)O,HLRUKOJSWOKCPP-RYSNWHEDSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Benzimidazole ribonucleosides and ribonucleotides,none,Benzimidazole ribonucleosides and ribonucleotides,none,none,none,none,none,none
440783,L-Urobilinogen,OtherMutliCpd,Compound,CCC1C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C,VKGRRZVYCXLHII-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
440806,5-Hydroxyindoleacetylglycine,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=CN2)CC(=O)NCC(=O)O,LFUCRBSGQMAKCO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
440813,4-Methylene-2-oxoglutarate,OtherMutliCpd,Compound,C=C(CC(=O)C(=O)O)C(=O)O,OARCEFMISOKEKI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
440839,BIO-5-AMP,OtherMutliCpd,Compound,C1C2C([C@@H](S1)CCCCC(=O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2,UTQCSTJVMLODHM-CFYKWCKVSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,5'-acylphosphoadenosines,none,none,none,none,none
440841,"2	5-Diaminopyrimidine nucleoside triphosphate",OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)N=C(N2)N)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,CRXOALRUOMUPMC-UMMCILCDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
440842,L-MONAPTERIN,OtherMutliCpd,Compound,C1=C(N=C2C(=N1)NC(=NC2=O)N)[C@@H]([C@H](CO)O)O,BMQYVXCPAOLZOK-NJGYIYPDSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
440848,N-Succinyl-L-glutamate 5-semialdehyde,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)C=O,XTOKIEIBKARFSZ-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
440849,N-(o)-Hydroxyarginine,OtherMutliCpd,Compound,C(CC(C(=O)O)N)CN=C(N)NO,FQWRAVYMZULPNK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
440850,N4-Acetylaminobutanal,OtherMutliCpd,Compound,CC(=O)NCCCC=O,DDSLGZOYEPKPSJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
440851,L-4-Hydroxyglutamate semialdehyde,OtherMutliCpd,Compound,C([C@H](C=O)O)[C@@H](C(=O)O)N,XCXUZPXOFFRGGP-DMTCNVIQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
440863,Propionyladenylate,OtherMutliCpd,Compound,CCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,ZGNGGJLVZZHLQM-ZRFIDHNTSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,5'-acylphosphoadenosines,none,none,none,none,none
440865,Malonyl-CoA semialdehyde,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC=O)O,NMEYBPUHJHMRHU-UXYNFSPESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
440867,Acetyl adenylate,OtherMutliCpd,Compound,CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,UBPVOHPZRZIJHM-WOUKDFQISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,5'-acylphosphoadenosines,none,none,none,none,none
440873,26543-05-5,OtherMutliCpd,Compound,C[C@@H](CO)C(=O)O,DBXBTMSZEOQQDU-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
440875,(S)-2-Aceto-2-hydroxybutanoate,OtherMutliCpd,Compound,CC[C@](C(=O)C)(C(=O)O)O,VUQLHQFKACOHNZ-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
440878,(S)-2-Acetolactate,OtherMutliCpd,Compound,CC(=O)[C@@](C)(C(=O)O)O,NMDWGEGFJUBKLB-YFKPBYRVSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
440898,"4-Pyridinecarboxylic acid	 5-formyl-3-hydroxy-2-methyl-",OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)C(=O)O)C=O,JTWNWNJMNSJYDL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridinecarboxylic acids and derivatives,Pyridinecarboxylic acids,none,none,none,none,none,none
440899,Isopyridoxal,OtherMutliCpd,Compound,CC1=NC=C(C(=C1O)CO)C=O,GNKXHPULSPWUAK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridine carboxaldehydes,Pyridine carboxaldehydes,none,none,none,none,none,none
440901,4-(Phosphonooxy)-threonine,OtherMutliCpd,Compound,C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O,FKHAKIJOKDGEII-GBXIJSLDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
440916,No_auto_id,OtherMutliCpd,Compound,C[C@@]12C[C@H](C[C@@]3([C@@H]1[C@@H](C45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,BKBYHSYZKIAJDA-FAGRHRLBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
440918,6-Oxohexanoic acid,OtherMutliCpd,Compound,C(CCC(=O)O)CC=O,PNPPVRALIYXJBW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
440923,"2	5-Diamino-6-(5'-triphosphoryl-3'	4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine",OtherMutliCpd,Compound,C(C(C(C(=O)CNC1=C(C(=O)N=C(N1)N)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,ZJYBJXKSWQPKFW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
440936,arbutin,OtherMutliCpd,Compound,C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
440940,ADP-mannose,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,WFPZSXYXPSUOPY-RYRBFGMPSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
440962,N-Acetylneuraminate 9-phosphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](COP(=O)(O)O)O)O)(C(=O)O)O)O,SQMNIXJSBCSNCI-LUWBGTNYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,N-acylneuraminate-9-phosphates
440978,AC1L9ABG,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,IHXBZDHPKCDGKN-VBDPZXIHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
440985,"7alpha	27-dihydroxycholesterol",OtherMutliCpd,Compound,C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,RXMHNAKZMGJANZ-DTTSCKGMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
440989,(+)-Coclaurine,OtherMutliCpd,Compound,COC1=C(C=C2[C@H](NCCC2=C1)CC3=CC=C(C=C3)O)O,LVVKXRQZSRUVPY-OAHLLOKOSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
440996,N-Acetyl-D-glucosamine 6-phosphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O,BRGMHAYQAZFZDJ-RTRLPJTCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
441045,AC1L9AGK,OtherMutliCpd,Compound,C[C@@H]([C@@H](C1=NC2=CN=CN=C2NC1)O)O,BQADMILWYUBNTA-XNCJUZBTSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,none,Pteridines and derivatives,none,none,none,none,none,none
441074,quinidine,Drug,Compound,COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,LOUPRKONTZGTKE-LHHVKLHASA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
441140,griseofulvin,Drug,Compound,C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,DDUHZTYCFQRHIY-RBHXEPJQSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
441146,3-Hydroxypimelyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCCC(=O)O)O)O,VGEBXBQECGWCRH-PUEFWPISSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
441147,3-oxopimelyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)O)O,KJXFOFKTZDJLMQ-AMIBDLERSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,none,none,none,none,none
441162,6-Hydroxycyclohex-1-ene-1-carboxyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4O)O,WBCJUEJWJADAGR-BEMBNQBDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
441253,pristanoyl CoA,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NQFYRDGBRBDQQG-ILYQRJAASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
441263,2-Hydroxyphytanoyl-CoA,OtherMutliCpd,Compound,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)C(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,WNVFJMYPVBOLKV-PJDIVXIPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
441264,3-hydroxyquinine,OtherMutliCpd,Compound,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CCN3C[C@@]4(C=C)O)O,BSRUJCFCZKMFMB-ZNYHDOEXSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
441269,phlorisovalerophenone,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C=C(C=C1O)O)O,VSDWHZGJGWMIRN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
441276,33069-62-4,Drug,Compound,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,RCINICONZNJXQF-VAZQATRQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Taxanes and derivatives,none,none,none,none,none,none
441277,Pentazocine HCl,Drug,Compound,C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl,OQGYMIIFOSJQSF-DTOXXUQYSA-N,Organic compounds,Alkaloids and derivatives,6--7-benzomorphans,2--6-dimethyl-3-benzazocines,2--6-dimethyl-3-benzazocines,none,none,none,none,none,none
441300,abacavir,Drug,Compound,C1CC1NC2=NC(=NC3=C2N=CN3[C@@H]4C[C@@H](C=C4)CO)N,MCGSCOLBFJQGHM-SCZZXKLOSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Nucleoside and nucleotide analogues,Cyclopentyl nucleosides,1--3-substituted cyclopentyl nucleosides,1--3-substituted cyclopentyl purine nucleosides,none,none,none,none,none
441301,Androstanediol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4O)C)O,CBMYJHIOYJEBSB-UNPXRYTGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
441335,Mometasone,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C,QLIIKPVHVRXHRI-CXSFZGCWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
441350,METYROSINE,Drug,Compound,C[C@](CC1=CC=C(C=C1)O)(C(=O)O)N,NHTGHBARYWONDQ-JTQLQIEISA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
441381,Saponarin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,HGUVPEBGCAVWID-KETMJRJWSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
441429,6-O-(6-Deoxy-alpha-L-mannopyranosyl)-D-glucose,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O,OVVGHDNPYGTYIT-BNXXONSGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
441443,Canaline,OtherMutliCpd,Compound,C(CON)[C@@H](C(=O)O)N,FQPGMQABJNQLLF-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
441447,Homostachydrine,OtherMutliCpd,Compound,C[N+]1(CCCC[C@H]1C(=O)[O-])C,XULZWQRXYTVUTE-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
441449,"10	16-Dihydroxyhexadecanoic acid",OtherMutliCpd,Compound,C(CCCCC(=O)O)CCCC(CCCCCCO)O,VJZBXAQGWLMYMS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
441450,(+)-gamma-Hydroxy-L-homoarginine,OtherMutliCpd,Compound,C(CN=C(N)N)[C@H](C[C@@H](C(=O)O)N)O,UFBPWFODSIJGPL-UHNVWZDZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
441453,(2S)-4-hydroxy-2-(oxaloamino)butanoic acid,OtherMutliCpd,Compound,C(CO)[C@@H](C(=O)O)NC(=O)C(=O)O,DSGLBKHWTOFZAT-VKHMYHEASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
441473,Zierin,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,KCVXNPDAHDGXFD-YOVYLDAJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
441476,pectin,OtherMutliCpd,Compound,[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,AEMOLEFTQBMNLQ-DTEWXJGMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
441481,beta-D-Ribopyranose,OtherMutliCpd,Compound,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,SRBFZHDQGSBBOR-TXICZTDVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
441484,alpha-L-Sorbopyranose,OtherMutliCpd,Compound,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,LKDRXBCSQODPBY-BGPJRJDNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
441559,AC1L9BBG,OtherMutliCpd,Compound,C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)O,QGUMNWHANDITDB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
441561,Cucumopine,OtherMutliCpd,Compound,C1[C@H](N[C@](C2=C1NC=N2)(CCC(=O)O)C(=O)O)C(=O)O,XGCZNSAJOHDWQS-KGFZYKRKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
441674,Cyanidin 3-O-rutinoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,USNPULRDBDVJAO-FXCAAIILSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
441677,alpha-Elemolic acid,OtherMutliCpd,Compound,CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C(=O)O)C,NBSBUIQBEPROBM-IMJUUJEHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441678,Euphol,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,CAHGCLMLTWQZNJ-WZLOIPHISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441688,Cyanin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,RDFLLVCQYHQOBU-ZOTFFYTFSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
441699,UNII-YM35G4AYEY,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O,RKWHWFONKJEUEF-WVXKDWSHSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
441701,Luteolinidin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O,GDNIGMNXEKGFIP-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
441782,"2	8-Dihydroxy-3	4	7-trimethoxydibenzofuran",OtherMutliCpd,Compound,COC1=C(C=C2C3=CC(=C(C(=C3OC2=C1)OC)OC)O)O,BUJOWQKLLDUNTC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
441795,6-Methoxy-alpha-pyrufuran,OtherMutliCpd,Compound,COC1=CC=CC2=C1OC3=C2C(=C(C(=C3OC)OC)O)OC,ZUMWPOBUQWYISM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
441798,AC1L9BOJ,OtherMutliCpd,Compound,C[C@H](CC(=O)O)[C@@]1(CC=C2[C@]1([C@@H](CC(=C2C(=O)O)C[C@]34CC[C@H](O3)C(C4)(C)C)O)C)C,JVZMODMXLQSGPI-MKBZWPJDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Heterocyclic fatty acids,none,none,none,none,none,none
441837,Schottenol,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,YSKVBPGQYRAUQO-UZSYLJJSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
441878,AC1L9BU2,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)C)C)O[C@]11CC[C@@](O1)(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,KSQDOQZKXFUZMV-ZRCSLNBESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441879,Capsicoside A,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O,WUSQCDWYDVFLMN-CIHABUNJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441885,CHEBI:4390,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O,RPYHJEFMMXMMHG-AATSBFCISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441887,Gitogenin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1,FWCXELAAYFYCSR-RYKNUXCGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441888,Gitonin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)C)C)C)OC1,AULWDENWMBJIIQ-KFRXWHRXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441889,Officinalisnin I,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O,SORUXVRKWOHYEO-YGNOLRTQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441891,Protodioscin,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O,LVTJOONKWUXEFR-UEZXSUPNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441895,Sarsaparilloside,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O,SUHZCFHVHYUSEP-UVSPAHOSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
441900,Yamogenin,OtherMutliCpd,Compound,C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,WQLVFSAGQJTQCK-CAKNJAFZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441907,Avenacin A-1,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C[C@@H]4[C@]5([C@]3(C[C@@H]([C@@]6([C@H]5C[C@@]([C@H](C6)OC(=O)C7=CC=CC=C7NC)(C)C=O)C)O)C)O4)C)(C)CO)O[C@H]8[C@@H]([C@H]([C@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,SYXUBXTYGFJFEH-PFTGTSLFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441908,Avenacin B-2,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@@H]4[C@]5([C@]3(C[C@@H]([C@@]6([C@H]5C[C@@]([C@H](C6)OC(=O)C7=CC=CC=C7)(C)C=O)C)O)C)O4)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,RTMPAEPNXWUCGZ-ITFDNFFVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441930,Helianthoside A,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(C[C@H]([C@@]8([C@H]7CC(CC8)(C)C)C(=O)O)O)C)C)C)CO[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C)O)O)O)O,GAMQIEGJRMEAEJ-NIJXBJTFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
441938,Phaseoloside D,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H]([C@H](CO[C@H]4O[C@H]5[C@@H]([C@H](O[C@H]([C@@H]5O)O[C@H]6CC[C@]7([C@H]([C@@]6(C)CO)CC[C@@]8([C@@H]7CC=C9[C@]8(C=C[C@@]1([C@H]9CC(CC1)(C)C)C)C)C)C)C(=O)O)O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O)O,CVMFAOXHGIFMQV-BVXNWBLKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,none,none,none,none,none,none
441951,Spinasaponin A,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O,BQPYEFAVIPEQIK-CGCSGISQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
441957,Ziziphin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@](C[C@@H](O[C@@]78C[C@]6([C@@]5(CC[C@H]4C3(C)C)C)CO8)C=C(C)C)(C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)OC(=O)C)OC(=O)C)C)O)O)O,SPFBVQWRJFUDBB-FYBFSNJASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
441958,Vignafuran,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC,YCDZKMJZSGRQML-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
441959,Biflorin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C(=C(C=C2O1)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,XTZWWMZDVUKEDJ-SPEJKDPOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
442009,carnosol,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O,XUSYGBPHQBWGAD-PJSUUKDQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
442163,Tetrahydrofolyl-[Glu](2),OtherMutliCpd,Compound,C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O,ZAOGJXDWOQXFBW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,none,none,none,none,none
442219,Erysotrine,OtherMutliCpd,Compound,CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1,WXVSPYOOFCCEII-KXBFYZLASA-N,Organic compounds,Alkaloids and derivatives,Erythrina alkaloids,Erythrinanes,Erythrinanes,none,none,none,none,none,none
442304,(-)-Laudanidine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC,MPYHGNAJOKCMAQ-MRXNPFEDSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
442343,LEVOMENOL,OtherMutliCpd,Compound,CC1=CC[C@H](CC1)[C@](C)(CCC=C(C)C)O,RGZSQWQPBWRIAQ-CABCVRRESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
442356,(-)-Salsoline,OtherMutliCpd,Compound,C[C@H]1C2=CC(=C(C=C2CCN1)O)OC,YTPRLBGPGZHUPD-ZETCQYMHSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
442384,5986-55-0,OtherMutliCpd,Compound,C[C@H]1CCC2([C@@]3(C1CC(C2(C)C)CC3)C)O,GGHMUJBZYLPWFD-DUNKBJDJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
442428,naringin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O,DFPMSGMNTNDNHN-ZPHOTFPESA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
442450,6-oxocyclohex-1-ene-1-carboxyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4=O)O,QFOMSXVUILWRSA-VBDPZXIHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
442501,(+)-alpha-Terpineol,OtherMutliCpd,Compound,CC1=CC[C@@H](CC1)C(C)(C)O,WUOACPNHFRMFPN-VIFPVBQESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
442508,Aucuparin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=CC=CC=C2,KCKBEANTNJGRCV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
442511,Euglobal-Ia1,OtherMutliCpd,Compound,CC(C)C[C@@H]1[C@H]2CC(C=C[C@]2(OC3=C(C(=C(C(=C13)O)C=O)O)C=O)C)C(C)C,GCAXPYWXIWWHHT-OPNYMYKSSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
442530,OCHRATOXIN A,OtherMutliCpd,Compound,C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl,RWQKHEORZBHNRI-BMIGLBTASA-N,Organic compounds,Phenylpropanoids and polyketides,Ochratoxins and related substances,none,Ochratoxins and related substances,none,none,none,none,none,none
442534,Paeoniflorin,OtherMutliCpd,Compound,C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O,YKRGDOXKVOZESV-WRJNSLSBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Terpene glycosides,none,none,none,none,none,none
442543,Theasinensin A,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,YUULFXAQUWEYNP-GXAWFILRSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
442584,Carlinoside,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O,XBGYTZHKGMCEGE-VYUBKLCTSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
442615,Lucenin-2,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,ZLPSOQFIIQIIAX-VQVVXJKKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
442619,Neoschaftoside,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O,MMDUKUSNQNWVET-LQYCTPBQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
442649,Myosmine,OtherMutliCpd,Compound,C1CC(=NC1)C2=CN=CC=C2,DPNGWXJMIILTBS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
442662,Thymonin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)O)OC)OC)O,BAIRXMVFPKLWSE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
442665,Violanthin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O,MVOUGOXRXQDXDC-RSPRXDBDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
442667,Anhydroglycinol,OtherMutliCpd,Compound,C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O,WYIDBNAGSMCMET-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
442668,Betavulgarin,OtherMutliCpd,Compound,COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O,NDVRQFZUJRMKKP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
442670,Cajanol,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OCC(C2=O)C3=C(C=C(C=C3)O)OC)O,RYYWWFXWFMYKJM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,none,none,none,none,none,none
442673,Casuarinin,OtherMutliCpd,Compound,C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@H]4[C@@H]5[C@H](C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,MMQXBTULXAEKQE-VSLJGAQWSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
442678,Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O,LQQNPVZIFKLQPE-RGOYVLDUSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
442682,Gallocatechin-(4alpha->8)-epigallocatechin,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O,RTEDIEITOBJPNI-MMKMIGCXSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
442688,Pedunculagin,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O,IYMHVUYNBVWXKH-ZITZVVOASA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
442694,Batatasin I,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)OC)OC,KGYHMWVRKYFQQR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
442699,Demethylbatatasin IV,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CCC2=CC(=CC(=C2)O)O)O,QNLYZTMYRVYPMN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
442727,Cascaroside A,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4[C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O,MNAYRSRTNMVAPR-ZHVWOXMGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
442759,2-Hydroxychrysophanol,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O)O,CQNVSNFEXPKHGW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
442762,Physcion diglucoside,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC)O,YMXXCMGLMRYEQD-BFTLVBKUSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
442768,Dalbergin,OtherMutliCpd,Compound,COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O,AZELSOYQOIUPBZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Neoflavones,Neoflavones,none,none,none,none,none,none
442770,5-Deoxykievitone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)C,JIJYZALGIIQXKE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
442771,Ferreirin,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O,CBEPNYOFLRIAGR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
442788,Homoferreirin,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC,LMLDNMHDNFCNCW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
442808,Melannin,OtherMutliCpd,Compound,COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=C(C=C3)O)O,HUGUGFBIYQBLCS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Neoflavones,Neoflavones,none,none,none,none,none,none
442820,Sayanedine,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)O)OC,JSDXTLJPMLRQOB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
442827,Trifolirhizin,OtherMutliCpd,Compound,C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6,VGSYCWGXBYZLLE-QEEQPWONSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
442916,3-PRENYL-4-HYDROXYACETOPHENONE,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C,QJAPFSSVKIZTMR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
443013,AC1L9DV2,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O,YJGVMLPVUAXIQN-BCVBHCCTSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan lactones,Podophyllotoxins,Podophyllotoxins,none,none,none,none,none,none
443023,Syringaresinol,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O)OC,KOWMJRJXZMEZLD-HCIHMXRSSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
443027,schisandrin C,OtherMutliCpd,Compound,C[C@@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C[C@@H]1C)OCO5)OC)OC)OCO3,HTBWBWWADZJXID-TXEJJXNPSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
443055,24-epi-Brassinolide,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O,IXVMHGVQKLDRKH-QHBHMFGVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Brassinolides and derivatives,none,none,none,none,none,none
443076,2-Methoxy-estradiol-17beta 3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,LLCPFVIBUZJITJ-GVEMAFOVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
443078,Etiocholan-3alpha-ol-17-one 3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,VFUIRAVTUVCQTF-SDHZCXLISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
443154,SN-38 Glucuronide,Drug,Compound,CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,SSJQVDUAKDRWTA-CAYKMONMSA-N,Organic compounds,Alkaloids and derivatives,Camptothecins,none,Camptothecins,none,none,none,none,none,none
443157,(-)-Citronellal,OtherMutliCpd,Compound,C[C@@H](CCC=C(C)C)CC=O,NEHNMFOYXAPHSD-JTQLQIEISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
443159,(+)-Menthone,OtherMutliCpd,Compound,C[C@H]1CC[C@@H](C(=O)C1)C(C)C,NFLGAXVYCFJBMK-DTWKUNHWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
443162,(-)-alpha-Terpineol,OtherMutliCpd,Compound,CC1=CC[C@H](CC1)C(C)(C)O,WUOACPNHFRMFPN-SECBINFHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
443163,(-)-dihydrocarveol,OtherMutliCpd,Compound,C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C,KRCZYMFUWVJCLI-OPRDCNLKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
443177,(+)-cis-carveol,OtherMutliCpd,Compound,CC1=CC[C@@H](C[C@@H]1O)C(=C)C,BAVONGHXFVOKBV-UWVGGRQHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
443201,1-deoxy-D-xylulose 5-phosphate,OtherMutliCpd,Compound,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,AJPADPZSRRUGHI-RFZPGFLSSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
443212,"4	4-Dimechol-8	14	24-trienol",OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C,LFQXEZVYNCBVDO-PBJLWWPKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
443237,"Delta 8	14 -Sterol",OtherMutliCpd,Compound,C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4(C3=CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C,HLAWVOWADPNAGN-BAHZUFOISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
443314,Tween 20,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO,HMFKFHLTUCJZJO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
443449,Gibberellin A6,OtherMutliCpd,Compound,CC12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3(C[C@H]6[C@@H]1O6)OC2=O)O)C(=O)O,XNBWKKYPKJHUKD-JXHFLFEZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
443454,Gibberellin A24,OtherMutliCpd,Compound,C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C=O)C(=O)O,QQRSSHFHXYSOMF-CXXOJBQZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 6-carboxylic acids,none,none,none,none
443460,Gibberellin A7,OtherMutliCpd,Compound,CC12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,SEEGHKWOBVVBTQ-WTVOOMFRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
443461,Gibberellin A34,OtherMutliCpd,Compound,CC12[C@H]3[C@@H]([C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)C(=C)C5)C(=O)O,IGZIQAJJXGRAJF-RXPVNQRESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
443465,Kaurenol,OtherMutliCpd,Compound,C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)CO,TUJQVRFWMWRMIO-XRNRSJMDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
443466,Kaurenal,OtherMutliCpd,Compound,C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)C=O,JCAVDWHQNFTFBW-XRNRSJMDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
443468,"6beta	7beta-Dihydroxykaurenoic acid",OtherMutliCpd,Compound,C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)O)(C)C(=O)O,MXCZWKLLVGCJTB-MFOCMZDKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
443614,Soyasaponin II,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O,IBZLICPLPYSFNZ-IVWMTKFPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
443639,(-)-Epiafzelechin,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O,RSYUFYQTACJFML-UKRRQHHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,none,none,none,none,none,none
443651,Petunidin 3-glucoside,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,CCQDWIRWKWIUKK-QKYBYQKWSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
443652,Malvidin-3-glucoside,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,PXUQTDZNOHRWLI-OXUVVOBNSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
443654,Peonidin-3-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,ZZWPMFROUHHAKY-OUUKCGNVSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
443846,Pseudoecgonyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4[C@H](CC5CCC4N5C)O)O,LWFFRRDSDGEAQK-VISZMWHFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
443849,5-Aminopentanal,OtherMutliCpd,Compound,C(CCN)CC=O,SZBGXBOFCGNPEU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
443872,Eplerenone,Drug,Compound,C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC,JUKPWJGBANNWMW-VWBFHTRKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Spironolactones and derivatives,none,none,none,none,none,none
443878,Tolterodine tartrate,Drug,Compound,CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,TWHNMSJGYKMTRB-KXYUELECSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
443901,Isoswertisin 2''-rhamnoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)OC)CO)O)O)O)O)O,HFUYHHROXLKXRR-WBXLRLGPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
443913,Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside),OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O,XLZUBCUKXQFBKB-JZWLZXDTSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
443917,Pelargonidin 3-O-rutinoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O,IFYOHQQBIKDHFT-ASZXTAQUSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
443936,difluprednate,Drug,Compound,CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C,WYQPLTPSGFELIB-JTQPXKBDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
443943,halcinonide,Drug,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F,MUQNGPZZQDCDFT-JNQJZLCISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
443958,amcinonide,Drug,Compound,CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6,ILKJAFIWWBXGDU-MOGDOJJUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
444013,GADOVERSETAMIDE,Drug,Compound,COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],HBEAOBRDTOXWRZ-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
444030,Darifenacin hydrobromide,Drug,Compound,C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br,UQAVIASOPREUIT-VQIWEWKSSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
444170,Fenugreekine,OtherMutliCpd,Compound,C1=CC(=NC(=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N,LFERELMXERXKKQ-KMXXXSRASA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
444196,Skf 107457,OtherMutliCpd,Compound,C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N,IUDCAKKZLXFOQA-QJAPXLAMSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
444305,L-tartaric acid,OtherMutliCpd,Compound,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,FEWJPZIEWOKRBE-JCYAYHJZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
444475,biopterin,OtherMutliCpd,Compound,C[C@H]([C@H](C1=CN=C2C(=N1)C(=O)N=C(N2)N)O)O,LHQIJBMDNUYRAM-AWFVSMACSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
444493,acetyl-CoA,OtherMutliCpd,Compound,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,ZSLZBFCDCINBPY-ZSJPKINUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
444539,CINNAMIC ACID,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C(=O)O,WBYWAXJHAXSJNI-VOTSOKGWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acids,Cinnamic acids,none,none,none,none,none,none
444632,D-MONAPTERIN,OtherMutliCpd,Compound,C1=C(N=C2C(=N1)NC(=NC2=O)N)[C@H]([C@@H](CO)O)O,BMQYVXCPAOLZOK-INEUFUBQSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
444791,alpha-D-glucuronic acid,OtherMutliCpd,Compound,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,AEMOLEFTQBMNLQ-WAXACMCWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
444841,Diguanosine triphosphate,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N,AAXYAFFKOSNMEB-MHARETSRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
444885,alpha-Neu5Ac,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,SQVRNKJHWKZAKO-YRMXFSIDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
444899,arachidonic acid,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,YZXBAPSDXZZRGB-DOFZRALJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
444926,AC1L9H4R,OtherMutliCpd,Compound,CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](CC2=CC=C(C=C2)I)NC(=O)[C@@H]3CCCN3)O,FISJHSVRQUAPBZ-JSLVBRCRSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
444941,alpha-ribazole-5'-P,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,ZMRGXEJKZPRBPJ-SYQHCUMBSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Benzimidazole ribonucleosides and ribonucleotides,none,Benzimidazole ribonucleosides and ribonucleotides,none,none,none,none,none,none
445027,d-Dethiobiotin,OtherMutliCpd,Compound,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,AUTOLBMXDDTRRT-JGVFFNPUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
445040,L-Biopterin,OtherMutliCpd,Compound,C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)N=C(N2)N)O)O,LHQIJBMDNUYRAM-DZSWIPIPSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
445125,1077-27-6,OtherMutliCpd,Compound,C1CSS[C@H]1CCCCC(=O)O,AGBQKNBQESQNJD-ZETCQYMHSA-N,Organic compounds,Organoheterocyclic compounds,Dithiolanes,Lipoic acids and derivatives,Lipoic acids and derivatives,none,none,none,none,none,none
445154,resveratrol,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O,LUKBXSAWLPMMSZ-OWOJBTEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
445354,retinol,Drug,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
445404,N7-Methylguanosine,OtherMutliCpd,Compound,CN1C=[N+](C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,OGHAROSJZRTIOK-KQYNXXCUSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
445468,923-61-5,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,SLKDGVPOSSLUAI-PGUFJCEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
445557,CHEMBL1089962,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,RNBGYGVWRKECFJ-ZXXMMSQZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
445591,AC1L9I9C,OtherMutliCpd,Compound,CCCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,FVZJHADOGSRQMB-JZOIBJOOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
445638,palmitoleic acid,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O,SECPZKHBENQXJG-FPLPWBNLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
445639,oleic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
445643,tacrolimus,Drug,Compound,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,QJJXYPPXXYFBGM-LFZNUXCKSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolide lactams,none,Macrolide lactams,none,none,none,none,none,none
445757,PE(18:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,JRTZGTYHEHCHTM-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
445858,ferulic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)O)O,KSEBMYQBYZTDHS-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
445929,Galacturonan,OtherMutliCpd,Compound,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,AEMOLEFTQBMNLQ-BKBMJHBISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
445946,N-Glycoloylganglioside GM2,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O,SYMIJCRAJBNLEL-YPQBUIQASA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
446013,FADH2,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O,YPZRHBJKEMOYQH-UYBVJOGSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Flavin nucleotides,none,Flavin nucleotides,none,none,none,none,none,none
446101,N-Acetylgalactosamine 4-sulphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O,WHCJUIFHMJFEFZ-UIAUGNHASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
446155,fluvastatin,Drug,Compound,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,FJLGEFLZQAZZCD-MCBHFWOFSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Phenylpyrroles,none,none,none,none,none,none
446156,cerivastatin,Drug,Compound,CC(C)C1=C(C(=C(C(=N1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)COC,SEERZIQQUAZTOL-ANMDKAQQSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Phenylpyridines,Phenylpyridines,none,none,none,none,none,none
446157,Rosuvastatin,Drug,Compound,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,BPRHUIZQVSMCRT-VEUZHWNKSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Phenylpyrimidines,none,none,none,none,none,none
446168,(S)-2-benzylsuccinic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C[C@@H](CC(=O)O)C(=O)O,GTOFKXZQQDSVFH-VIFPVBQESA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
446220,cocaine,Drug,Compound,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC,ZPUCINDJVBIVPJ-LJISPDSOSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
446284,Eicosapentaenoic acid,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,JAZBEHYOTPTENJ-JLNKQSITSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
446440,PG(16:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,BIABMEZBCHDPBV-MPQUPPDSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerols,Phosphatidylglycerols,none,none,none,none,none,none
446556,Pemetrexed,Drug,Compound,C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,WBXPDJSOTKVWSJ-ZDUSSCGKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
446569,tetragastrin,OtherMutliCpd,Compound,CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N,RGYLYUZOGHTBRF-BIHRQFPBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
446670,PE(16:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,MMLCPRRXWWDUCM-MGBGTMOVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
446798,"13	14-Dihydroretinol",OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(C)CCO)/C,OVBOQVAIYMSUDT-HRYGCDPOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
446834,5-Hydroxyferulic acid,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)/C=C/C(=O)O,YFXWTVLDSKSYLW-NSCUHMNNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
446872,PE(15:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN,NJGIRBISCGPRPF-KXQOOQHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
447078,"1	2-Distearoyl-sn-glycero-3-phosphoethanolamine",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,LVNGJLRDBYCPGB-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
447123,S-hydroxymethylglutathione,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,PIUSLWSYOYFRFR-BQBZGAKWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
447199,Formycin,OtherMutliCpd,Compound,C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,KBHMEHLJSZMEMI-KSYZLYKTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,C-glycosyl compounds,none,none,none,none,none
447718,7alpha-Hydroxy-5beta-cholan-24-oic Acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)C,JVMCMMXFADJQKU-MMSVWBHPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
447790,PE(18:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,RFJQNULIDFTTLL-PGUFJCEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
448154,"(2R	3R)-2	3-dihydroxy-3-methylpentanoic acid",OtherMutliCpd,Compound,CC[C@](C)([C@H](C(=O)O)O)O,PDGXJDXVGMHUIR-UJURSFKZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
448165,Mannobiose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O,GUBGYTABKSRVRQ-PZPXDAEZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
448209,CMP-Sialic acid,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O,TXCIAUNLDRJGJZ-BILDWYJOSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
448537,diethylstilbestrol,OtherMutliCpd,Compound,CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O,RGLYKWWBQGJZGM-ISLYRVAYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
448812,Eptifibatide,Drug,Compound,C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,CZKPOZZJODAYPZ-LROMGURASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
448839,D-(+)-Neopterin,OtherMutliCpd,Compound,C1=C(N=C2C(=N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O,BMQYVXCPAOLZOK-XINAWCOVSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
448893,(S)-(+)-2-Methylbutyric acid,OtherMutliCpd,Compound,CC[C@H](C)C(=O)O,WLAMNBDJUVNPJU-BYPYZUCNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
449005,cardiolipin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,XVTUQDWPJJBEHJ-KZCWQMDCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerophosphoglycerols,Cardiolipins,none,none,none,none,none,none
449007,PE(18:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,TZINTCMFTOUPSN-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
449008,PG(16:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O,KBPVYRBBONZJHF-QPPIDDCLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerols,Phosphatidylglycerols,none,none,none,none,none,none
449093,trans-Zeatin,OtherMutliCpd,Compound,C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO,UZKQTCBAMSWPJD-FARCUNLSSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
449193,Roflumilast,Drug,Compound,C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F,MNDBXUUTURYVHR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,none,none,none,none,none,none
450268,3-hydroxyhippuric acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C(=O)NCC(=O)O,XDOFWFNMYJRHEW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
450272,alpha-Hydroxyhippuric acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NC(C(=O)O)O,GCWCVCCEIQXUQU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
451674,Triterpenoid,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)COS(=O)(=O)O)O,XBZYWSMVVKYHQN-MYPRUECHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
452110,Colfosceril palmitate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,KILNVBDSWZSGLL-KXQOOQHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
452242,Casuarictin,OtherMutliCpd,Compound,C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O,SWRFKGRMQVLMKA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
452855,Trachelogenin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)O)OC)O)OC,YFVZKLQNMNKWSB-BTYIYWSLSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
452864,Licoricesaponin C2,OtherMutliCpd,Compound,C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O,WPDHECQXVOACTR-KSHPUXFISA-N,none,none,none,none,none,none,none,none,none,none,none
452949,ZINC GLUCONATE,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Zn+2],WHMDKBIGKVEYHS-IYEMJOQQSA-L,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
454063,6-oxotetradecanoic acid,OtherMutliCpd,Compound,CCCCCCCCC(=O)CCCCC(=O)O,FCMLVMXRWKFUTG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
454064,3-oxotetradecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)CC(=O)O,XLKOZYOVXNPWGT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
454092,N-Undecanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCC(=O)NCC(=O)O,HEUQYIQQCNOXOG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
454460,Macrocarpal D,OtherMutliCpd,Compound,CC1CCC(C=C2C1CCC2(C)C(CC(C)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)(C)O,VUKIJLQDSQXHDI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
454461,Macrocarpal E,OtherMutliCpd,Compound,CC1CCC(C2(C1=CC(CC2)C(C)(C)O)C)C(CC(C)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O,XJNGQIYBMXBCRU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
454891,"(6aR	11aR)-8-Hydroxy-3	9-dimethoxypterocarpan",OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OC)O,KIKDCPYSYOMXEJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
455260,RoseOx,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)CCC3[C@@]2(CCCC3(C)C)C(=O)O)O)O,QRYRORQUOLYVBU-YBMSBYLISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
456201,ketoconazole,Drug,Compound,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,XMAYWYJOQHXEEK-OZXSUGGESA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,Phenylpiperazines,none,none,none,none,none,none
457190,Deoxycholic acid disulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C,BYHNMIVTBIJJFZ-LLQZFEROSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Bile acids-- alcohols and derivatives,none,none,none,none,none,none
457194,alpha-Conidendrin,OtherMutliCpd,Compound,COC1=C(C=C2[C@@H]([C@H]3COC(=O)[C@@H]3CC2=C1)C4=CC(=C(C=C4)O)OC)O,CAYMSCGTKZIVTN-TYILLQQXSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan lactones,none,Lignan lactones,none,none,none,none,none,none
457801,Clionasterol,OtherMutliCpd,Compound,CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,KZJWDPNRJALLNS-FBZNIEFRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
459070,7-Sulfocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)O)C,RRVLNNMINXAIKC-OELDTZBJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
459494,2-(3-Phenylpropyl)Pyridine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCC2=CC=CC=N2,JJJPNTQYUJPWGQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
460602,1-Palmitoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,ASWBNKHCZGQVJV-HSZRJFAPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
460604,1-Myristoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,VXUOFDJKYGDUJI-OAQYLSRUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
460612,melphalan,Drug,Compound,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl,SGDBTWWWUNNDEQ-LBPRGKRZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
461776,Leu-enkephalin,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N,URLZCHNOLZSCCA-VABKMULXSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
461835,Calenduladiol,OtherMutliCpd,Compound,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]2O)C)C)(C)C)O)C)C,AJBZENLMTKDAEK-SKESNUHASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
467295,Epiafzelechin 3-O-gallate,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,SDZPYNMXGUHFMZ-TZIWHRDSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,none,none,none,none,none,none
467297,CHEMBL159433,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)O,BXDRTHBTGNNTEW-NHCUHLMSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
467299,"EPIGALLOCATECHIN 3	5-DIGALLATE",OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,RKUDRJTZBDEGNP-YIXXDRMTSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
467300,"Epigallocatechin 3	3'	-di-O-gallate",OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,LGGSDHMXURUIDJ-YIXXDRMTSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
467301,"Epigallocatechin 3	4'	-di-O-gallate",OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,LPOACLRSLAMIRP-ZEQKJWHPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
468284,"2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3	4	5-triol",OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O,MLRIJUWUQTVDQE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
468595,Posaconazole,Drug,Compound,CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F,RAGOYPUPXAKGKH-XAKZXMRKSA-N,Organic compounds,Organoheterocyclic compounds,Diazinanes,Piperazines,Phenylpiperazines,none,none,none,none,none,none
469215,Annosquamosin A,OtherMutliCpd,Compound,CC(=O)OC[C@@]1(CC23CCC4[C@](CCC[C@]4(C2CC[C@H]1C3)C)(C)C=O)O,FCHGRGOUMXZTFS-QZRFJHGNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
470824,Dehydroepiandrosterone 3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C,GLONBVCUAVPJFV-PCDHEYSGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
471004,Ganoderic acid C1,OtherMutliCpd,Compound,C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C,YTVGSCZIHGRVAV-NJNFCIENSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
471007,Ganoderiol B,OtherMutliCpd,Compound,C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O,SZCAPUAJXOKPIR-AHHFHQBHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
471008,Ganoderiol F,OtherMutliCpd,Compound,C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,JVGJXXNUVVQEIG-MCKXIFHVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
471119,Gemin D,OtherMutliCpd,Compound,C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O,XKVYZLLWKHGKMT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
471120,Heterophylliin A,OtherMutliCpd,Compound,C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O,NLDMNSXOCDLTTB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
471719,7-methoxybaicalein,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O,ZTHLHHDJRXJGRX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
472107,(1H-Indol-3-yl)methanamine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CN,JXYGLMATGAAIBU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
472768,Bryonolic acid,OtherMutliCpd,Compound,C[C@]12CC[C@@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)O,BHVJSLPLFOAMEV-FPLINDMSSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,none,none,none,none,none,none
473141,7beta-Hydroxycholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,OYXZMSRRJOYLLO-KGZHIOMZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
474540,Procyanidin B6,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=CC(=C(C(=C21)O)[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O,GMISZFQPFDAPGI-ZBRHZRBFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
474541,Procyanidin B8,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=C(C(=C21)O)[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O,GMISZFQPFDAPGI-JJYFIROESA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
475277,Cinnamtannin B1,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@@H]6[C@H]([C@@](OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,BYSRPHRKESMCPO-LQNPQWRQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
475410,Lucidumol A,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,LVGCWXNRZNCAJG-AMKDLFIQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
475411,Lucidumol B,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,BLTRPNNWBNKAEH-LCWRUPSGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
475412,Ganolucidic acid A,OtherMutliCpd,Compound,C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O,XRXBNTYHQXKSAO-WRRQQOFWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
476785,Phlorin,OtherMutliCpd,Compound,C1=C(C=C(C=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,WXTPOHDTGNYFSB-RMPHRYRLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
478956,"2	7-Dihydroxy-9-methyl-4-dibenzofurancarboxylic acid",OtherMutliCpd,Compound,CC1=CC(=CC2=C1C3=CC(=CC(=C3O2)C(=O)O)O)O,XERKTCDLFDGUHP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
478957,Porric acid B,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1C3=CC(=CC(=C3O2)C(=O)O)O)O)OC,YRDAFVVZXCAVIU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
478958,Porric acid A,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1C3=CC(=CC(=C3O2)C(=O)O)OC)O)OC,SXRYQQFROYXBDQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
480763,MLS000697639,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)O)C,UOWOIGNEFLTNAW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,6-prenylated flavans,6-prenylated flavanones,none,none,none,none,none
480768,Glabrol,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)C,CUFAXDWQDQQKFF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
480770,Gancaonin E,OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C(=C(C=C3O)O)CC=C(C)C)O)O)C,HCBKENVWCDLQOA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
480774,Glabrene,OtherMutliCpd,Compound,CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(C=C(C=C4)O)OC3)O)C,NGGYSPUAKQMTNP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
480777,Gancaonin I,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C=C(O2)C3=C(C=C(C=C3)O)O)OC)C,DKVBYQAVNNRVNN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
480780,Gancaonin G,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C,WLPHLDLTTPUDSI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
480785,3'-Dimethylallylkievitone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)O)C,FSHPJPOJLGCQOJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
480786,Glisoflavanone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)O)O)C,RIWDYFGEQJAMKI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,3'-prenylated isoflavanones,none,none,none,none,none
480787,Glycyrin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C,FWWGXZYUURXJLK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
480802,Gancaonin Q,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)CC=C(C)C)O)O)C,WGNIVAMNAWBYRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
480815,Gancaonin R,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)C)CCC2=CC(=C(C=C2)O)O)C,QFAPONVNJTUMHF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
480817,Gancaonin V,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1CCC3=CC(=C(C=C32)O)O)O)O)C,UEXOPXIMQJMWKA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Hydrophenanthrenes,Hydrophenanthrenes,none,none,none,none,none,none
480818,Gancaonin U,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C(C2=C1CCC3=CC(=C(C=C32)O)O)O)CC=C(C)C)O)C,YJJXCOSDPIJFJR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Hydrophenanthrenes,Hydrophenanthrenes,none,none,none,none,none,none
480819,Albanol B,OtherMutliCpd,Compound,CC1=CC2=C3C(=C1)C4=C(C=C(C=C4)O)OC3(OC5=C2C(=CC(=C5)C6=CC7=C(O6)C=C(C=C7)O)O)C8=C(C=C(C=C8)O)O,SMHBZVSVLIBGGO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
480854,3-Hydroxyglabrol,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)O)C,LAQLCZKPJGMFRM-BJKOFHAPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
480863,Kanzonol H,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C4=C(C=C3OC2)OC(CC4)(C)C)OC)O)C,JRVDUBFSQWHYRJ-INIZCTEOSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,5-O-methylated isoflavonoids,none,none,none,none,none,none
482164,Colchiside 7,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,LEQCLUFJRGKLOA-ASXAQASFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
482576,AC1LA6XL,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,KQNGHARGJDXHKF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
482790,"(1s	2s	4ar	5r	8as)-2-(2-hydroxy-1-methyl-ethyl)-4a-methyl-8-methylene-decalin-1	5-diol",OtherMutliCpd,Compound,CC(CO)[C@@H]1CC[C@]2([C@@H](CCC(=C)[C@@H]2[C@H]1O)O)C,UQYJFDGQBNCHHB-LRUZOGJLSA-N,none,none,none,none,none,none,none,none,none,none,none
483292,AC1LA846,OtherMutliCpd,Compound,CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=CN(C3=O)C4=CC=C(C=C4)N5C=CN=N5,LBKFHHCMMQERRS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Imidazoles,Substituted imidazoles,Phenylimidazoles,none,none,none,none,none
483513,"4-(2	3-Dihydroxy-3-methylbutoxy)furo(3	2-g)chromen-7-one",OtherMutliCpd,Compound,CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O,PEWFWDOPJISUOK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
483516,"4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]naphtho[2	3-b]furan-7(8h)-one",OtherMutliCpd,Compound,CC(=C)C(COC1=C2C=CC(=O)CC2=CC3=C1C=CO3)O,ORMQKTROSKJKMC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
483806,335665-76-4,OtherMutliCpd,Compound,CCC1=C(NC(=O)C(=C1)[C@@](C#CC2CC2)(C(F)(F)F)OCC3=CC=CC=C3)C,IJKRFIRPCMPTFM-NRFANRHFSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
485186,Egonol,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)CCCO)C=C(O2)C3=CC4=C(C=C3)OCO4,VOLZBKQSLGCZGC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
486612,Matairesinoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O,AAGCATAPYOEULE-LHHMAMHXSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
491664,AC1LANHE,OtherMutliCpd,Compound,CC(C)COC(=O)N[C@H](C(=O)NC(CC1CC1)C(=O)NC(CC2CC2)C(=O)C(=O)NCC(=O)NC(C3=CC=CC=C3)C(=O)N(C)C)C(C)(C)C,IUDDPEUHFDRPMS-PJECOSFISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
492323,CHEMBL1790304,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C,UHSBDWIIEICNLO-SWEGMTMGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
494573,NSC627442,OtherMutliCpd,Compound,CC1C=C(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(O3)O)C)O)C)C)OC,ZXEXAUWPQPJYJZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Quassinoids,none,none,none,none,none,none
495195,NSC645591,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C,LFWLYNKBYSIXAH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
495441,ISOBADRAKEMIN,OtherMutliCpd,Compound,CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C,FCWYNTDTQPCVPG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
495442,Samarcandin,OtherMutliCpd,Compound,CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C,WNANPKYNOALKIV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
495453,NSC655414,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,CGZZFWMLSVHLFZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
495571,NSC659499,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)C(C4)(C)OC)(C)C(=O)O,VYVVNCBNYVCVGC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
495605,Hopeaphenol,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C(C3=CC(=CC4=C3C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C26)O)O)O)C7C(C8=C(C=C(C=C8C9C(OC1=C9C7=CC(=C1)O)C1=CC=C(C=C1)O)O)O)C1=CC=C(C=C1)O)O,YQQUILZPDYJDQJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
495921,NSC672986,OtherMutliCpd,Compound,CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C,ANKFPIBCTISOBX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
496070,NSC677770,OtherMutliCpd,Compound,CC(COC(=O)C)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C,OBXKFYVWKKLUHN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Bile acids-- alcohols and derivatives,none,none,none,none,none,none
496770,NSC698788,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O,GMCGZPQYTRHQRU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
497299,18:0 LYSO-PC,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,IHNKQIMGVNPMTC-RUZDIDTESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
500031,NSC611284,OtherMutliCpd,Compound,CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C,MAYJEFRPIKEYBL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Limonoids,none,none,none,none,none,none
500050,NSC627861,OtherMutliCpd,Compound,C1C(C(C(CC1(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,JQVXKQDWMIXILH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,O-galloylquinic acids and derivatives,none,none,none
500182,Bryonolic acid,OtherMutliCpd,Compound,CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,BHVJSLPLFOAMEV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,none,none,none,none,none,none
500213,Cycloartenol,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C,ONQRKEUAIJMULO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
500375,NSC698789,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O,LVTJOONKWUXEFR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
500376,Methylprotodioscin,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC,HSSJYSJXBOCKQM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
501735,AC1L9VH9,OtherMutliCpd,Compound,CC(C)[C@@H](C(=O)NCC1CCCCC1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)OCC4=CC=CC=C4)O,GVEKNKZVPQOSEG-SFRFHSQUSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
503731,Licocoumarone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C=C(O2)C3=C(C=C(C=C3)O)O)O)C,CNPMAFLUEHEXRE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
504067,9H-Carbazole-3-carbaldehyde,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O,WRBOHOGDAJPJOQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
504068,Mukonal,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=CC(=C(C=C3N2)O)C=O,NEAHWGSQUXSRNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
504069,Methyl 9H-carbazole-3-carboxylate,OtherMutliCpd,Compound,COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32,LZXXHWWSVRIDGR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
504166,hexadecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)[O-],IPCSVZSSVZVIGE-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
505179,AC1LA0M6,OtherMutliCpd,Compound,CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(F)(F)F)C(=O)CC(=O)C3=NC=CC=N3,VMXGQIJATUSOTN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
509268,AC1LA8UB,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C3C=CC(OC3=C1O)(C)C)C(=O)C4=C(C5=C(C=C4O2)OC(C=C5)(C)C)O)C,NKTLGMPGRFCLNF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
509269,77741-58-3,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=CC(=C3)O)OC)C,JKOMBLYQDHTFJC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
509270,demethylcalabaxanthone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)C,SDKLJUCURHMDBQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
509740,AC1LA9PN,OtherMutliCpd,Compound,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)O)S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)N(C)C(=O)CN(C)CCCN5CCCC5,ODWKYLBLNIWJFB-JHOUSYSJSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylbutylamines,Phenylbutylamines,none,none,none,none,none,none
511358,37551-62-5,OtherMutliCpd,Compound,CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O,BVMOMQJYQYBMKL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
512363,AC1LAEDA,OtherMutliCpd,Compound,CC1=CC=C(N2C1=NC=C2CSCC3=CC=CC=C3)C,IAEKTUPWWDILME-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyridines,none,Imidazopyridines,none,none,none,none,none,none
513197,Isoxanthohumol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)OC)O)C,YKGCBLWILMDSAV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
513472,beta-neuraminic acid,OtherMutliCpd,Compound,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)N)O,CERZMXAJYMMUDR-YOQZMRDMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,Neuraminic acids,none,none
513890,AC1LAHHO,OtherMutliCpd,Compound,C1C[C@@H](C[C@@H]1CO)N2C3=C(C(=NC=N3)N)N=C2C4=CC=CC=C4,UJEGPMDVXZCGOB-YPMHNXCESA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Nucleoside and nucleotide analogues,Cyclopentyl nucleosides,1--3-substituted cyclopentyl nucleosides,1--3-substituted cyclopentyl purine nucleosides,none,none,none,none,none
517044,Potassium acetate,OtherMutliCpd,Compound,CC(=O)[O-].[K+],SCVFZCLFOSHCOH-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,Acetate salts,none,none,none,none,none
517045,Sodium acetate,OtherMutliCpd,Compound,CC(=O)[O-].[Na+],VMHLLURERBWHNL-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,Acetate salts,none,none,none,none,none
517055,sodium benzoate,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)[O-].[Na+],WXMKPNITSTVMEF-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
517637,"1	2-Propanediol dibenzoate",OtherMutliCpd,Compound,CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2,UMVMVEZHMZTUHD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
517827,103-95-7,OtherMutliCpd,Compound,CC(C)C1=CC=C(C=C1)CC(C)C=O,ZFNVDHOSLNRHNN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
517859,"2	3	5-Trimethylfuran",OtherMutliCpd,Compound,CC1=CC(=C(O1)C)C,NJXZFRUNHWKHEC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
518472,Bornyl formate,OtherMutliCpd,Compound,CC1(C2CCC1(C(C2)OC=O)C)C,RDWUNORUTVEHJF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
518937,Furfuryl methyl sulfide,OtherMutliCpd,Compound,CSCC1=CC=CO1,SKSFHXVDHVKIBN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
519158,3-Decanol,OtherMutliCpd,Compound,CCCCCCCC(CC)O,ICEQLCZWZXUUIJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
519286,"2	4-Diphenyl-1-butene",OtherMutliCpd,Compound,C=C(CCC1=CC=CC=C1)C2=CC=CC=C2,PWSZACWUDDFZMQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,none,Linear 1--3-diarylpropanoids,none,none,none,none,none,none
519519,2-Ethyl-5-methylpyridine,OtherMutliCpd,Compound,CCC1=NC=C(C=C1)C,COHDGTRFTKHYSJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
519662,l-.alpha.-Cadinol,OtherMutliCpd,Compound,CC1=CC2C(CCC(C2CC1)(C)O)C(C)C,LHYHMMRYTDARSZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
519709,Ethyl 2-mercaptopropionate,OtherMutliCpd,Compound,CCOC(=O)C(C)S,LXXNWCFBZHKFPT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
519721,"p-Mentha-1	5-dien-7-ol",OtherMutliCpd,Compound,CC(C)C1CC=C(C=C1)CO,QPHLFYOPLZARDQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
519751,(Furfurylthio)ethane,OtherMutliCpd,Compound,CCSCC1=CC=CO1,WGQJSONNMGREEA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
519786,Isopentyl isobutyrate,OtherMutliCpd,Compound,CC(C)CCOC(=O)C(C)C,VFTGLSWXJMRZNB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
519793,4-(Methylthio)butanol,OtherMutliCpd,Compound,CSCCCCO,JNTVUHZXIJFHAU-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Dialkylthioethers,Dialkylthioethers,none,none,none,none,none,none
519845,Methyl 3-hydroxyhexanoate,OtherMutliCpd,Compound,CCCC(CC(=O)OC)O,ACCRBMDJCPPJDX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
519857,Cubenol,OtherMutliCpd,Compound,CC1CCC(C2C1(CCC(=C2)C)O)C(C)C,COGPRPSWSKLKTF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
519890,Methyl 2-methylpentanoate,OtherMutliCpd,Compound,CCCC(C)C(=O)OC,ZTULNMNIVVMLIU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
519894,Methyl 5-methylhexanoate,OtherMutliCpd,Compound,CC(C)CCCC(=O)OC,VMHVFMBDCWCBHO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
519954,trans-Shisool,OtherMutliCpd,Compound,CC(=C)C1CCC(CC1)CO,GMYHXOPIKMGWOM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
520144,1-Mercapto-2-propanone,OtherMutliCpd,Compound,CC(=O)CS,USVCRBGYQRVTNK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
520148,Phenethyl 2-methylbutyrate,OtherMutliCpd,Compound,CCC(C)C(=O)OCCC1=CC=CC=C1,KVKKTLBBYFABAZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
520191,"3-Acetyl-2	5-dimethylthiophene",OtherMutliCpd,Compound,CC1=CC(=C(S1)C)C(=O)C,PUSJAEJRDNPYKM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
520296,delta-Tetradecalactone,OtherMutliCpd,Compound,CCCCCCCCCC1CCCC(=O)O1,SKQYTJLYRIFFCO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
520298,12-methyltridecanoic acid,OtherMutliCpd,Compound,CC(C)CCCCCCCCCCC(=O)O,YYVJAABUJYRQJO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
520326,3-Methylbutyl 2-methylbutanoate,OtherMutliCpd,Compound,CCC(C)C(=O)OCCC(C)C,VGIRHYHLQKDEPP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
520455,Octyl 2-methylbutyrate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)C(C)CC,BCOJVEMHTBSAOE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
520468,"Phenol	 5-(1	5-dimethyl-4-hexenyl)-2-methyl-",OtherMutliCpd,Compound,CC1=C(C=C(C=C1)C(C)CCC=C(C)C)O,FKWGCEDRLNNZOZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
520484,"2	3	4-Trimethyl-3-pentanol",OtherMutliCpd,Compound,CC(C)C(C)(C(C)C)O,PLSMHHUFDLYURK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
520682,3-Mercapto-3-methyl-1-butanol,OtherMutliCpd,Compound,CC(C)(CCO)S,GBCGIJAYTBMFHI-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
520687,Kaurene,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C,ONVABDHFQKWOSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
520758,6-epi-Shyobunol,OtherMutliCpd,Compound,CC(C)C1CCC(C(C1O)C(=C)C)(C)C=C,WOULTTPZJDSDEI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Elemane sesquiterpenoids,none,none,none,none,none,none
521185,"4	8-Methanoazulen-9-ol	 decahydro-2	2	4	8-tetramethyl-	 stereoisomer",OtherMutliCpd,Compound,CC1(CC2C(C1)C3(CCCC2(C3O)C)C)C,MJYUBUQHKCAJQR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,none,none,none,none,none,none
521199,beta-Sitosterol acetate,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C,PBWOIPCULUXTNY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
521214,"1-Naphthalenol	 decahydro-1	4a-dimethyl-7-(1-methylethylidene)-",OtherMutliCpd,Compound,CC(=C1CCC2(CCCC(C2C1)(C)O)C)C,STRABSCAWZINIF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
521246,3-oxobutan-2-yl acetate,OtherMutliCpd,Compound,CC(C(=O)C)OC(=O)C,ZKPTYCJWRHHBOW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha-acyloxy carbonyl compounds,Alpha-acyloxy ketones,none,none,none,none,none
521300,1-Hydroxybutan-2-one,OtherMutliCpd,Compound,CCC(=O)CO,GFAZHVHNLUBROE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Alpha-hydroxy ketones,none,none,none,none,none
521326,Octyl heptanoate,OtherMutliCpd,Compound,CCCCCCCCOC(=O)CCCCCC,XAZROQGRFWCMBU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
521332,STK020088,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C,XVULBTBTFGYVRC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
521348,3-mercapto-1-hexanol,OtherMutliCpd,Compound,CCCC(CCO)S,TYZFMFVWHZKYSE-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
521355,2-Methyl-4-pentenal,OtherMutliCpd,Compound,CC(CC=C)C=O,RCQKLWAPRHHRNN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
521873,"2-Furanmethanethiol	 5-methyl-",OtherMutliCpd,Compound,CC1=CC=C(O1)CS,MGLMZOFGBDYNMH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
522017,Triarachidin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,KCVWRCXEUJUXIG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
522171,Isobutyl 2-(methylamino)benzoate,OtherMutliCpd,Compound,CC(C)COC(=O)C1=CC=CC=C1NC,WKYZGTHZBSYUFI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
522214,Isopropyl 2-methylbutyrate,OtherMutliCpd,Compound,CCC(C)C(=O)OC(C)C,DIRDKDDFAMNBNY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
522265,(2-Hydroxyethyl)Trimethyl-Ammonium Chloride,OtherMutliCpd,Compound,C[N+](C)(C)CCO.[Cl-],SGMZJAMFUVOLNK-UHFFFAOYSA-M,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,none,none,none,none,none,none
522266,Spathulenol,OtherMutliCpd,Compound,CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C,FRMCCTDTYSRUBE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
522417,Tagetonol,OtherMutliCpd,Compound,CC(C)CC(=O)CC(C)(C=C)O,HPKAJXIDKBSLHJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Beta-hydroxy ketones,none,none,none,none,none
522676,Isoamyl nonanoate,OtherMutliCpd,Compound,CCCCCCCCC(=O)OCCC(C)C,SHGMLOSSRPFLKG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
522677,Isobutyl acetoacetate,OtherMutliCpd,Compound,CC(C)COC(=O)CC(=O)C,ZYXNLVMBIHVDRH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Beta-keto acids and derivatives,Beta-keto acids and derivatives,none,none,none,none,none,none
524005,"p-Menthane-1	3-diol",OtherMutliCpd,Compound,CC(C)C1CCC(CC1O)(C)O,IIZCEIWXLSJQFP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
524171,"3-acetyl-1	2-dithiolane",OtherMutliCpd,Compound,CC(=O)C1CCSS1,OEBJHVCWENCTLE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dithiolanes,1--2-dithiolanes,1--2-dithiolanes,none,none,none,none,none,none
524975,"2	6-Dimethoxy-4-propylphenol",OtherMutliCpd,Compound,CCCC1=CC(=C(C(=C1)OC)O)OC,YHEWWEXPVKCVFY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
526152,Methyl 5-acetoxyhexanoate,OtherMutliCpd,Compound,CC(CCCC(=O)OC)OC(=O)C,XZGQJRXRXRYNRI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
526176,2-(2-thienyl)furan,OtherMutliCpd,Compound,C1=COC(=C1)C2=CC=CS2,RVYKTPRETIBSPK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
526182,"1H-pyrrolo[2	1-c][1	4]thiazine",OtherMutliCpd,Compound,C1C2=CC=CN2C=CS1,LMFZCLWJOUSWGP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thiazines,1--4-thiazines,1--4-thiazines,none,none,none,none,none,none
526185,1-(furan-2-yl)ethane-1-thiol,OtherMutliCpd,Compound,CC(C1=CC=CO1)S,PIIMQPHZYYVEMS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
526189,2-methoxy-2-methylthiolan-3-one,OtherMutliCpd,Compound,CC1(C(=O)CCS1)OC,FCDCVDDFZHJGKZ-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioacetals,Monothioacetals,Monothioketals,none,none,none,none,none,none
526195,4-Methoxy-2-methyl-2-butanethiol,OtherMutliCpd,Compound,CC(C)(CCOC)S,XVHGKKGBUDMTIQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
526487,3-Mercapto-3-methylbutyl formate,OtherMutliCpd,Compound,CC(C)(CCOC=O)S,VTAPYUYITKYXJB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
526559,"5-acetyl-2	3-dihydro-1H-pyrrolizine",OtherMutliCpd,Compound,CC(=O)C1=CC=C2N1CCC2,NWSCEJHRUVCUSX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
526616,furfuryl 2-methyl-3-furyl disulfide,OtherMutliCpd,Compound,CC1=C(C=CO1)SSCC2=CC=CO2,FVCZDGBJCOHRKY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
526618,2-methyl-3-(methylthio)furan,OtherMutliCpd,Compound,CC1=C(C=CO1)SC,OQVAOEIMSKZGAL-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
526624,Bis(2-methyl-3-furyl)disulfide,OtherMutliCpd,Compound,CC1=C(C=CO1)SSC2=C(OC=C2)C,OHDFENKFSKIFBJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
526762,"1	3-p-Menthadien-7-al",OtherMutliCpd,Compound,CC(C)C1=CC=C(CC1)C=O,MKVBITWQDIIUMF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
526931,Kahweofuran,OtherMutliCpd,Compound,CC1=C2C(=CO1)CCS2,WQOKVCDOEDFSAJ-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
527027,AC1LB1LN,OtherMutliCpd,Compound,CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)C=O,HOFSYSONRIGEAC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
527143,"1	8-P-Menthadien-9-ol",OtherMutliCpd,Compound,CC1=CCC(CC1)C(=C)CO,UIMAEYMKYMNCGW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
527217,"1-Naphthalenol	 decahydro-1	4a-dimethyl-7-(1-methylethenyl)-",OtherMutliCpd,Compound,CC(=C)C1CCC2(CCCC(C2C1)(C)O)C,DPQYOKVMVCQHMY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
527256,Rosifoliol,OtherMutliCpd,Compound,CC1CCCC2(C1=CC(CC2)C(C)(C)O)C,SRHDLIDOZXPROB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
527268,Carvacryl ethyl ether,OtherMutliCpd,Compound,CCOC1=C(C=CC(=C1)C(C)C)C,DOTAGKFIHPPPTK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
527393,4-MERCAPTO-2-PENTANONE,OtherMutliCpd,Compound,CC(CC(=O)C)S,KHIPEWLRUGVKIC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
527427,35907-10-9,OtherMutliCpd,Compound,CC(=C)C1CCC(=C)C(C1)O,PNVTXOFNJFHXOK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
527435,3-Mercapto-2-methylpentanal,OtherMutliCpd,Compound,CCC(C(C)C=O)S,FSAGSGCELJTQFN-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
527498,"1(2H)-Naphthalenone	 octahydro-7.alpha.-isopropyl-4a.beta.	8a.beta.-dimethyl-	 (+)-",OtherMutliCpd,Compound,CC(C)C1CCC2(CCCC(=O)C2(C1)C)C,HDVXJTYHXDVWQO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
527839,"2	4-Diisopropyl-5-methylphenol",OtherMutliCpd,Compound,CC1=CC(=C(C=C1C(C)C)C(C)C)O,NNSNIMZGXLISCO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
528698,42348-12-9,OtherMutliCpd,Compound,CCC1=C(C(=O)CC1C)O,RSVAFMGHIDKYKB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
528704,"2-Cyclopenten-1-one	 4-ethyl-2-hydroxy-3-methyl",OtherMutliCpd,Compound,CCC1CC(=O)C(=C1C)O,FFJYTCCZZSZBGQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
528707,RMXYMRMUZJILGN-UHFFFAOYSA-N,OtherMutliCpd,Compound,CC1C(C(=O)C(=C1C)O)C,RMXYMRMUZJILGN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
528708,.alpha.-Calacorene,OtherMutliCpd,Compound,CC1=CCC(C2=C1C=CC(=C2)C)C(C)C,CUUMXRBKJIDIAY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
528753,"Deca-4	6-diyn-1-yl 3-methylbutanoate",OtherMutliCpd,Compound,CCCC#CC#CCCCOC(=O)CC(C)C,NVMLEKVHEUTCIU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
528759,94020-95-8,OtherMutliCpd,Compound,CC1CCC2C1C3C(C3(C)C)CCC24CO4,XPGWKKLDFXNBPJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
529066,1-(5'-Methylfurfuryl)pyrrolidine,OtherMutliCpd,Compound,CC1=CC=C(O1)CN2CCCC2,IETSEKPJTAMXGM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
529253,Acetoyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC(C)C(=O)C,LJDWJXUIGKSETE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
529392,3-Oxotetrahydrofuran,OtherMutliCpd,Compound,C1COCC1=O,JLPJFSCQKHRSQR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
529481,"3-methylnonane-2	4-dione",OtherMutliCpd,Compound,CCCCCC(=O)C(C)C(=O)C,BGVBGAIWXAXBLP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,Beta-diketones,none,none,none,none,none
529635,2-mercapto-3-pentanone,OtherMutliCpd,Compound,CCC(=O)C(C)S,TWOGJUHCCNLYPC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
529649,Kaurenoic Acid Methyl Ester,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)OC,DWTRNJFPDXIFSY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
529650,ent-16-Kauren-19-ol,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO,none,none,none,none,none,none,none,none,none,none,none,none
530404,"5H-Cyclopentapyrazine	 6	7-dihydro-2	5-dimethyl-",OtherMutliCpd,Compound,CC1CCC2=NC(=CN=C12)C,CTFGVWCFSGCLHZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
534260,AC1LBEJD,OtherMutliCpd,Compound,CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O,XSCYYIVXGBKTOC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Polyols,1--2-diols,none,none,none,none,none
534607,13-Methyloxacyclotetradecan-2-one,OtherMutliCpd,Compound,CC1CCCCCCCCCCC(=O)OC1,NFNWPPOMMYDNFQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
535169,Lepalone,OtherMutliCpd,Compound,CC(=C)C(=O)CCC1=COC=C1,XUCQQLCBOJJVRF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Alpha-branched alpha--beta-unsaturated ketones,none,none,none,none
536366,AC1LBIHU,OtherMutliCpd,Compound,CC(=O)OCC1CC23CCC4C(CCCC4(C2CCC1C3)C)(C)C=O,AXCCTUATUTWPBD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
536562,2-Caraneol,OtherMutliCpd,Compound,CC1CCC2C(C1O)C2(C)C,RPPLFPVIBFQGJC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
536987,3-Mercaptohexyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCCC(CCC)S,KVXKOWZLYWBURN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
537150,"25-hydroxyhentriacontane-14	16-dione",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(CCCCCC)O,MBWYKVFQDJGFDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
537186,"(3beta	5alpha)-3-hydroxypregn-16-en-20-one",OtherMutliCpd,Compound,CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,SFXPZLCQRZASKK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Oxosteroids,20-oxosteroids,none,none,none,none,none,none
537294,2-O-Icosanoylglycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,KECCPKLXQUOWMI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
537297,UNII-M3XG79XRFL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC(CO)CO,SJUYTIGRIZBTCI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
537596,AC1LBKV1,OtherMutliCpd,Compound,CC(=O)OCC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C,FNLMCLYZRZJKQZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
537615,heptan-3-yl acetate,OtherMutliCpd,Compound,CCCCC(CC)OC(=O)C,QICIMADZMWGDTQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
537682,Isoamyl pyruvate,OtherMutliCpd,Compound,CC(C)CCOC(=O)C(=O)C,LBKWGGFVEDOVEP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Alpha-keto acids and derivatives,Alpha-keto acids and derivatives,none,none,none,none,none,none
537754,3-Mercaptohexyl butyrate,OtherMutliCpd,Compound,CCCC(CCOC(=O)CCC)S,TZNJKOLXWHXDAF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
538506,7779-67-1,OtherMutliCpd,Compound,CC(C)CCOC(=O)CCC1=CC=CO1,ZVMWAVZRUZDYMV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
539829,Vanillin isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OC,BGKAKRUFBSTALK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
539850,"7H-1-Benzopyran-7-one	 octahydro-2	5	5	8a-tetramethyl-",OtherMutliCpd,Compound,CC1CCC2C(CC(=O)CC2(O1)C)(C)C,VXIZSNZJQJVFMK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,none,Benzopyrans,none,none,none,none,none,none
541368,24-Ethyllophenol,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C,IYIFZADLIMVECH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
541973,Penmacric acid,OtherMutliCpd,Compound,C1C(C(=O)NC1C(=O)O)C(C(=O)O)N,QEFCFJFZZLNSPP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
542172,oct-7-en-2-ol,OtherMutliCpd,Compound,CC(CCCCC=C)O,HSHUHVOEMVTVRS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
543323,alpha-Citronellol,OtherMutliCpd,Compound,CC(CCCC(=C)C)CCO,JGQFVRIQXUFPAH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
543385,15-Hexadecanolide,OtherMutliCpd,Compound,CC1CCCCCCCCCCCCCC(=O)O1,GILZFLFJYUGJLX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
543405,13-tetradecanolide,OtherMutliCpd,Compound,CC1CCCCCCCCCCCC(=O)O1,FGDBANZBXSVCEG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
543426,2-Methylcyclododecanone,OtherMutliCpd,Compound,CC1CCCCCCCCCCC1=O,JJUNXABENLJLAY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
543551,N-Nitrosotomatidine,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)N(C1)N=O,SGPLNSURQYXVNX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Spirosolanes and derivatives,none,none,none,none,none,none
543585,3-(Methylthio)hexyl hexanoate,OtherMutliCpd,Compound,CCCCCC(=O)OCCC(CCC)SC,YCHLQQVZMIQEAC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
543595,2-(2-hexylcyclopropyl)acetic acid,OtherMutliCpd,Compound,CCCCCCC1CC1CC(=O)O,DSMAUFFXECFFMC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acids,Carboxylic acids,none,none,none,none,none,none
543599,"Stigmastane-3	6-dione",OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)C(C)C,HMMVBUVVQLUGQA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
543796,3-epicycloeucalenol,OtherMutliCpd,Compound,CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C)C(C)C)C,HUNLTIZKNQDZEI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
544165,24-Methylenecycloartanol,OtherMutliCpd,Compound,CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C,BDHQMRXFDYJGII-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
544628,"5	6-dimethyloxan-2-one",OtherMutliCpd,Compound,CC1CCC(=O)OC1C,HAXARIVGMMVELD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
545106,Methyl 3-methyl-2-oxopentanoate,OtherMutliCpd,Compound,CCC(C)C(=O)C(=O)OC,ZPSBJVARKCHQDF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
545130,"Butanoic acid	 2-methyl-	 4-methoxy-2-(3-methyloxiranyl)phenyl ester",OtherMutliCpd,Compound,CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C2C(O2)C,VXWVNVFBEJTTKA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
545567,"2-Palmito-1	3-distearin",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,ZGVGTPFSVCXVNJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
545588,TG(18:0/14:0/18:0)[iso3],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,MARPCPMDFOPPJX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
545606,Tracylglycerol(46:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,NSQZMMPMMBEIIA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
545690,"1-hexadecanoyl-2	3-dioctadecanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,SDNYRTVJOFMYIW-OIVUAWODSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
545839,Bilobalide A,OtherMutliCpd,Compound,CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O,MOLPUWBMSBJXER-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,Ginkgolides and bilobalides,none,none,none,none,none
546093,3-Sulfanylhexyl pentanoate,OtherMutliCpd,Compound,CCCCC(=O)OCCC(CCC)S,VMHWVDZUYLYJAJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
546304,N-Isovaleroylglycine,OtherMutliCpd,Compound,CC(C)CC(=O)NCC(=O)O,ZRQXMKMBBMNNQC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
547907,Methyl 3-(methylthio)butanoate,OtherMutliCpd,Compound,CC(CC(=O)OC)SC,HJJHJUWCICDDEL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
548198,Stevioside,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,UEDUENGHJMELGK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,Steviol glycosides,none,none,none,none,none
549519,2-Methyl-4-pentenoic acid,OtherMutliCpd,Compound,CC(CC=C)C(=O)O,HVRZYSHVZOELOH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
550205,Cyclolaudenol,OtherMutliCpd,Compound,CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C,IXHACUTUTOCSJE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
550597,heliocide H3,OtherMutliCpd,Compound,CC(C)C1=C(C(=C(C2=C1C(=O)C3(CC(=CCC3C2=O)CCC=C(C)C)C)C=O)O)O,YCZAHJSVHOSXPX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
550747,2-Acetylpyrrolidine,OtherMutliCpd,Compound,CC(=O)C1CCCN1,FYCFJMPASVKULQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,none,Pyrrolidines,none,none,none,none,none,none
550768,Pentyl decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCCCCC,BGYFCELTJPRWBA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
551084,4883-60-7,OtherMutliCpd,Compound,CC1=C(C(=O)CC(C1)(C)C)O,DWGZTTFGUFHAJX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,Cyclohexenones,none,none,none,none
551316,Tetrahydrofurfuryl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCC1CCCO1,DPZVDLFOAZNCBU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
555644,2-(2-Furyl)-3-methyl-2-butenal,OtherMutliCpd,Compound,CC(=C(C=O)C1=CC=CO1)C,JWRBBXQUYVJOLN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
556940,Ethyl 3-(furfurylthio)propionate,OtherMutliCpd,Compound,CCOC(=O)CCSCC1=CC=CO1,ZKCVVCLCYIXCOD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
556963,Saussurea lactone,OtherMutliCpd,Compound,CC1C2CCC(C(C2OC1=O)C(=C)C)(C)C=C,LMNJALUUIMXUQQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
556998,"p-Menthane-3	8-diol",OtherMutliCpd,Compound,CC1CCC(C(C1)O)C(C)(C)O,LMXFTMYMHGYJEI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
558221,"2-Hepten-4-one	 2-methyl-6-(4-methylphenyl)-",OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C,NAAJVHHFAXWBOK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
558375,4-Methyleneproline,OtherMutliCpd,Compound,C=C1CC(NC1)C(=O)O,PEYQZZMUNYLHII-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
558649,gamma-GLU-PHE,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N,XHHOHZPNYFQJKL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
560255,Ethyl 3-methylpentanoate,OtherMutliCpd,Compound,CCC(C)CC(=O)OCC,TXAWGHYFBQBVNK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
560572,Methyl 2-(methylthio)butyrate,OtherMutliCpd,Compound,CCC(C(=O)OC)SC,PBYSEUNXLXTEAN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
560781,"2	3-dihydroxy-2-methylpropanoic acid",OtherMutliCpd,Compound,CC(CO)(C(=O)O)O,DGADNPLBVRLJGD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
561870,Thuja-2-ene-4-ol,OtherMutliCpd,Compound,CC(C)C12CC1C(C=C2)(C)O,MSEVJTQZWWZGMP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
562563,2-Phenyl-4-pentenal,OtherMutliCpd,Compound,C=CCC(C=O)C1=CC=CC=C1,PBWQZEMADHTUIF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
562665,AC1LBQSI,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C(=O)O,SVFKZPQPMMZHLZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
564760,2-Acetyl-4-methylpyridine,OtherMutliCpd,Compound,CC1=CC(=NC=C1)C(=O)C,HRVQMQWVGKYDCF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
565447,"Cycloartane-3.beta.	25-diol",OtherMutliCpd,Compound,CC(CCCC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C,VUMUFIITBXMVIJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
565570,AC1LBWLX,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C,HXQRIQXPGMPSRW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,3-hydroxysteroids,none,none,none,none,none,none
566787,AC1LBZ4M,OtherMutliCpd,Compound,C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC(=O)O,UNHCPLSWMNPZTD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
566940,2-Tetradecylcyclobutanone,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC1CCC1=O,HTZLOIBLMXPDGR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
567658,"Oxepane-2	7-dione",OtherMutliCpd,Compound,C1CCC(=O)OC(=O)C1,JPSKCQCQZUGWNM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,none,Lactones,none,none,none,none,none,none
569214,1-Phenylethyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OC(C)C1=CC=CC=C1,JZCCYSDOUYQZMW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
570574,1-Phenylethyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC(C)C1=CC=CC=C1,GGKADXREVJTZMF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
572766,Isogermafurene,OtherMutliCpd,Compound,CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C,HICAMHOOTMOHPA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
572801,Arnidenediol,OtherMutliCpd,Compound,CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CCC1=C)C)O)C)C)(C)C)O)C,IOPDFSGGBHSXSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
574674,p-Menthan-4-ol,OtherMutliCpd,Compound,CC1CCC(CC1)(C(C)C)O,LWKGCZOYSGKTLB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
574998,AC1LCDEI,OtherMutliCpd,Compound,CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C(C)C)N(C)C,ULQXKOIGVXLOOC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
575067,"5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5	6-dihydro-2H-pyran-2-one",OtherMutliCpd,Compound,COC1=CC(=O)OC(C1O)CCC2=CC=CC=C2,VJCNEDVMYQCMBK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
576072,AC1LB47K,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O,ZKSZEJFBGODIJW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
576240,2-Phenylpropyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OCC(C)C1=CC=CC=C1,LZTCJUAHYXNKRE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
576263,2-Phenylpropyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCC(C)C1=CC=CC=C1,SKLXPNZDCBPHCS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
577126,Dehydrodihydroionone,OtherMutliCpd,Compound,CC1=C(C(CC=C1)(C)C)CCC(=O)C,SQFRYZPEWOZAKJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
577203,cis-.alpha.-Copaene-8-ol,OtherMutliCpd,Compound,CC1=CCC2C3C1C2(CC(C3C(C)C)O)C,BVCNHEVITXGCEP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
577206,"1-(1H-imidazo[4	5-c]pyridin-4-yl)ethanone",OtherMutliCpd,Compound,CC(=O)C1=NC=CC2=C1N=CN2,WTOOGKIOBGXDDY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyridines,Imidazo-[4--5-c]pyridines,Imidazo-[4--5-c]pyridines,none,none,none,none,none,none
577614,N-Benzoyltyramine,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)O,MUCNBPCTSRYLCB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
578221,Teresantalol,OtherMutliCpd,Compound,CC1(C2CC3C1(C3C2)C)CO,ZWUWJJHLJNLVDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
578549,Emmolic acid,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O,WLCHQSHZHFLMJH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
578941,(carbamoylamino)(4-hydroxyphenyl)acetic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(C(=O)O)NC(=O)N)O,GSHIDXLOTQDUAV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-carbamoyl-alpha amino acids and derivatives,N-carbamoyl-alpha amino acids,none,none,none
579336,Dihydro-beta-ionol,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)CCC(C)O,VSYLEWGIVLSDIY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
579338,1-Ethyl-1H-pyrrole-2-carbaldehyde,OtherMutliCpd,Compound,CCN1C=CC=C1C=O,DVLGEHCERRWDIX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
579675,22940-86-9,OtherMutliCpd,Compound,CC1=CC(=C(O1)C(=O)C)C,SQWQZVDNBPEROH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
579923,(-)-Pyrifolidine,OtherMutliCpd,Compound,CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5OC)OC)C(=O)C,BTDUGGGJFMJNOB-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aspidospermatan-type alkaloids,none,Aspidospermatan-type alkaloids,none,none,none,none,none,none
580407,2-Methyl-5-propionylthiophene,OtherMutliCpd,Compound,CCC(=O)C1=CC=C(S1)C,ROPOMQPSWIOWSN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
583432,"1-Methylpyrrolo[1	2-a]pyrazine",OtherMutliCpd,Compound,CC1=NC=CN2C1=CC=C2,OCFOYCLGYLFXCC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
583433,"4-Methylpyrrolo[1	2-a]pyrazine",OtherMutliCpd,Compound,CC1=CN=CC2=CC=CN12,GCXGRZISVBCADH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
583833,"Pyrazine	 methyl(2-propenyl)-",OtherMutliCpd,Compound,CC1=NC=CN=C1CC=C,AQCVFCFCPBWGSY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
585939,Demethylvestitol,OtherMutliCpd,Compound,C1C(COC2=C1C=CC(=C2)O)C3=C(C=C(C=C3)O)O,CJZBXHPHEBCWLV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanols,none,none,none,none,none,none
585998,(+)-sesamolin,OtherMutliCpd,Compound,C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6,ZZMNWJVJUKMZJY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
586373,Carinol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)(CO)O)O,INPPVVSEQRZCLJ-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,Dibenzylbutanediol lignans,Dibenzylbutanediol lignans,none,none,none,none,none,none
586387,Dihydrokaempferide,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O,CKDYDMSDCNQHEB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
586508,"6-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-5	6-dihydro-2H-pyran-2-one",OtherMutliCpd,Compound,COC1=CC(=O)OC(C1)CCC2=CC(=C(C=C2)OC)O,QQLVNWDQIUZGJM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
586733,AC1LBPFK,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O,BVHIKUCXNBQDEM-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--9'-epoxylignans,none,none,none,none,none,none
586922,AC1LBPSH,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)O)C)C)OC1,PZNPHSFXILSZTM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
587245,"5-Phenyl-1	3-pentadiyne",OtherMutliCpd,Compound,C#CC#CCC1=CC=CC=C1,ZZGANZXITREHOP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
588518,3-Epipapyriferic acid,OtherMutliCpd,Compound,CC(=O)OC1CC2C3(CCC(C(C3CCC2(C4(C1C(CC4)C5(CCC(O5)C(C)(C)O)C)C)C)(C)C)OC(=O)CC(=O)O)C,RLVAVWQAAQFUOP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
589365,Nonyl octanoate,OtherMutliCpd,Compound,CCCCCCCCCOC(=O)CCCCCCC,HSGQXSBXGSRINJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
590241,"2-Allyl-3	5-dimethylpyrazine",OtherMutliCpd,Compound,CC1=CN=C(C(=N1)C)CC=C,HZYLCLJYQDFDEA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
590243,"2	5-Dimethyl-3-(2-propenyl)pyrazine",OtherMutliCpd,Compound,CC1=CN=C(C(=N1)CC=C)C,GHMVLFIPIFJTOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
591624,Isosativan,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O,FWAWTPASGRNXTO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,none,none,none,none,none,none
591742,AC1LBZLZ,OtherMutliCpd,Compound,CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O,MONKQYHCNQSQHL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
591830,Isovestitol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2,FFDNYMAHNWBKCH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,2'-O-methylated isoflavonoids,none,none,none,none,none,none
591897,ATHANASIN,OtherMutliCpd,Compound,CC1=COC(=C1)CC2(CCC(O2)C3=COC=C3)C,LMSPQIDVRZANSJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
592220,"6-[2-(3	4-Dimethoxyphenyl)ethyl]-4-methoxy-5	6-dihydro-2H-pyran-2-one",OtherMutliCpd,Compound,COC1=CC(=O)OC(C1)CCC2=CC(=C(C=C2)OC)OC,HEURTYMJWQPWNN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
592854,Isosilychristin hexaacetate,OtherMutliCpd,Compound,CC(=O)OCC1C(OC2=C1C=C(C=C2OC(=O)C)C3C(C(=O)C4=C(C=C(C=C4O3)OC(=O)C)OC(=O)C)OC(=O)C)C5=CC(=C(C=C5)OC(=O)C)OC,AGYIZATXFMHIHY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
592950,Demethylcapillin,OtherMutliCpd,Compound,C#CC#CC(=O)C1=CC=CC=C1,ZKQQJUBGJLUJNT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
592986,Sylvopinol,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)O)CO,OANKJSUXMPAWAT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
594452,Viburtinal,OtherMutliCpd,Compound,CC1=COC=C2C1=CC=C2C=O,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Aryl-aldehydes,none,none,none,none,none
595928,"4-Methyl-2-phenyl-1	3-dioxolane",OtherMutliCpd,Compound,CC1COC(O1)C2=CC=CC=C2,CDIKGISJRLTLRA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
595943,2-Amino-3-(4-hydroxyphenyl)propanamide,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)N)N)O,PQFMNVGMJJMLAE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
596370,2-Methoxy-5-[(E)-1-propenyl]phenol,OtherMutliCpd,Compound,CC=CC1=CC(=C(C=C1)OC)O,LHJZSWVADJCBNI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
596401,"3-(2	4-Dimethoxyphenyl)-3	4-dihydro-2H-1-benzopyran-7-ol",OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC,TUXCLJQCYVCGDW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
597207,Arachidoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O,NJHJXXLBWQXMRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
600671,5993-18-0,OtherMutliCpd,Compound,CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C,BGXFQDFSVDZUIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
601259,Coreximine,OtherMutliCpd,Compound,COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O,BWUQAWCUJMATJS-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Protoberberine alkaloids and derivatives,none,Protoberberine alkaloids and derivatives,none,none,none,none,none,none
602152,Isomucronulatol,OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC,NQRBAPDEZYMKFL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
604512,Q-100147,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O,FWYSBEAFFPBAQU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
604937,Moretenone,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C,VEVKLOLYYQLRRV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Hopanoids,Hopanoids,none,none,none,none,none,none
604951,3-Epimoretenol,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C,LFPVZIIPFONRSW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Hopanoids,Hopanoids,none,none,none,none,none,none
604983,Pseudotaraxasterol,OtherMutliCpd,Compound,CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)O)C,NGFFRJBGMSPDMS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
605266,AC1LCR5X,OtherMutliCpd,Compound,CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C,CVUANYCQTOGILD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
605378,2-Oxo-2H-chromene-4-carboxylic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CC(=O)O2)C(=O)O,DORZTUIRBJRLFD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
605629,3549-23-3,OtherMutliCpd,Compound,CC(C)(C)C1=CC=C(C=C1)CC(=O)OC,HXVTYMWVMVKVTF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
607309,526-34-1,OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)C(=O)O,AOHAPDDBNAPPIN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,none,none,none,none,none
607542,3-Methyl-9H-carbazol-1-ol,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C3=CC=CC=C3N2)O,IKITXHOOBOBUFJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
609116,Methyl oleanonate,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)OC)C,PPMUFCXCVKVCSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
609451,Sawamilletin,OtherMutliCpd,Compound,CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)OC)(C)C)C)C)C,MJIBQQFDNJYZGY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Scalarane sesterterpenoids,none,none,none,none,none,none
609663,AC1LCZZ3,OtherMutliCpd,Compound,CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1,DAEYIVCTQUFNTM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Ochratoxins and related substances,none,Ochratoxins and related substances,none,none,none,none,none,none
610072,Ginsenol,OtherMutliCpd,Compound,CC1(CC2(C3(CCCC2(C1CC3)C)C)O)C,QOXUIQMPPDIDGM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
610148,1059-14-9,OtherMutliCpd,Compound,CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C,XWMMEBCFHUKHEX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
610269,Lupan-3-ol,OtherMutliCpd,Compound,CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C,UBLNLUPLUKPSPP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
611428,4-hydroxyxanthen-9-one,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O,KBQFPPUAIJHDCO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
611513,Marmesin galactoside,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O,HXCGUCZXPFBNRD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
612009,Protoaescigenin,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)CO)O)C)C,VKJLHZZPVLQJKG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
612272,AC1LD56N,OtherMutliCpd,Compound,CC(CCC(=C(C)C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C,CIBNJPPYSPYHDB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
612545,16-Acetylpriverogenin A,OtherMutliCpd,Compound,CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C5C1(C(CC(C5)(C)C)O)C=O)C,RVLOLIBRTUMCPC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
612548,Camelliagenin A,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C,CTNHZEZBBGIUJB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
616063,AC1LDCJL,OtherMutliCpd,Compound,CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O,PKRPFNXROFUNDE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
616064,Neobyakangelicol,OtherMutliCpd,Compound,CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O,UBAMGTKSOKGECF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
617233,Allyltetramethoxybenzene,OtherMutliCpd,Compound,COC1=C(C(=C(C(=C1)CC=C)OC)OC)OC,HRAXJWRHSUTMCS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
617263,"Pyridine	 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-",OtherMutliCpd,Compound,CC(=CCOC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3)C,CPMFTHYYYPZYOB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Oxazoles,Phenyl-1--3-oxazoles,none,none,none,none,none,none
617472,Thebaol,OtherMutliCpd,Compound,COC1=CC2=C(C=CC3=C2C(=C(C=C3)OC)O)C=C1,GKDSKCYMUUXQLA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
617474,AC1LDF9C,OtherMutliCpd,Compound,CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl,BPZZWRPHVVDAPT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Ochratoxins and related substances,none,Ochratoxins and related substances,none,none,none,none,none,none
618582,AC1LDHGY,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C,ZMYBKDLUDWAJSA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
619164,Acetylursolic acid,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O,PHFUCJXOLZAQNH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
619337,4-Epipallensin,OtherMutliCpd,Compound,CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C,NGPDZEACIWDCKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
621134,alpha-Fernenol,OtherMutliCpd,Compound,CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)O)C)C)C)C,VWYANPOOORUCFJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
621521,"Bauerenol	 O-methyl-",OtherMutliCpd,Compound,CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)OC)(C)C)C)C,HMTYXVQACLXYEQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
622032,Sericic acid,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)O)C,IFIQVSCCFRXSJV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
622180,Eduline,OtherMutliCpd,Compound,CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=CC=C3,GFUAPSNFZWUMBP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Phenylquinolines,Phenylquinolines,none,none,none,none,none,none
623142,"(3beta	5alpha	24S)-Stigmasta-7	25-dien-3-ol",OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(=C)C,CMQUSRGUOMCHOZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
623309,Kauran-16-ol,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C,FZSRMADKTOBCNT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
623604,.beta.-Simiarenol,OtherMutliCpd,Compound,CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CC=C5C4CCC(C5(C)C)O)C)C)C)C,XVXPXUMUGATHPD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,none,Steroids and steroid derivatives,none,none,none,none,none,none
624381,Methyltanshinonate,OtherMutliCpd,Compound,CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC,YFDKIHAZVQFLRC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Tanshinones-- isotanshinones-- and derivatives,none,none,none,none,none,none
624708,AC1LDQO2,OtherMutliCpd,Compound,CCC12CCCN(C1)CCC3=C(CC2)NC4=CC=CC=C34,FDNDLNFGITWTOZ-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Quebrachamine alkaloids,none,Quebrachamine alkaloids,none,none,none,none,none,none
625031,Desmethoxymatteucinol,OtherMutliCpd,Compound,CC1=C(C2=C(C(=C1O)C)OC(CC2=O)C3=CC=CC=C3)O,HAIHGFWQOPJMPV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
625278,AC1LCDR5,OtherMutliCpd,Compound,CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(=C)C(C)C)C)C)O,RSMKYRDCCSNYFM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
626805,Rhazidigenine Nb-oxide,OtherMutliCpd,Compound,CCC12CCC[N+](C1)(CCC3(C(=NC4=CC=CC=C43)CC2)O)[O-],DJKWUXVCQNIASK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
627142,AC1LCEYE,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)OC)O,VVPGAJNPGZZNBM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
627910,Ovalitenone,OtherMutliCpd,Compound,COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC4=C(C=C3)OCO4,SDJBCBKWKASUCJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retro-dihydrochalcones,none,none,none,none,none,none
628311,AC1LCFOL,OtherMutliCpd,Compound,CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C=C(C)C)C,WEIYXEFMCIRZHC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
628528,Cabreuvin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC,UKWLNMIPRJLYGH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
628557,(+)-Norboldine,OtherMutliCpd,Compound,COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O,KYVJVURXKAZJRK-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
628742,Prexanthoperol,OtherMutliCpd,Compound,CC(C)C1=C(C=C2C(=C1)C(=O)C(=O)C3C2(CCCC3(C)C)C)O,KVTOPOITUALWOF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
628758,"7	18-Dihydroxykaurenolide",OtherMutliCpd,Compound,CC12CCCC3(C1C(C(C45C2CCC(C4)C(=C)C5)O)OC3=O)CO,RDUNXXWNAKBVER-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
629042,ST092794,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C,RMIVRCBSQPCSCQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
629096,Glyceofuran,OtherMutliCpd,Compound,CC(C)(C1=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)O,FLURXOFTUKXKQN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
629965,Zapotin,OtherMutliCpd,Compound,COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC,PBQMALAAFQMDSP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
630029,55058-52-1,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3O)C(=O)OC2=C4C5C=COC5OC4=C1,GYNOTJLCULOEIM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
630219,"Kaurane-16	18-diol	 18-acetate",OtherMutliCpd,Compound,CC(=O)OCC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C,AELNFENJKQXLPW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
631170,"3'	4'	5	7-Tetramethoxyflavone",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)OC)OC,CLXVBVLQKLQNRQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
631338,Ponasteroside A,OtherMutliCpd,Compound,CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)O)O)O,CNAKQRUFJWYXIC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
632135,Isosinensetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC,UYCWETIUOAGWIL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
632255,Pebrellin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)O)OC)OC)OC,AREVFHPDZQHBHI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
634400,"(3beta	5alpha	24R)-Stigmast-8(14)-en-3-ol",OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2=C3CCC4CC(CCC4(C3CCC12C)C)O)C(C)C,YQQOGXLLGWWKQH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
634598,Faradiol,OtherMutliCpd,Compound,CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C,BNHIQKVOPNHQKO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
634657,AC1LCP9N,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)O)C)C)C,WSPRAEIJBDUDRX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
634760,"(3beta	5alpha	6beta	24R)-Stigmastane-3	5	6-triol",OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)C(C)C,VGSSUFQMXBFFTM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
634867,2'-O-Methylcajanone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1)C2COC3=C(C2=O)C(=C4C=CC(OC4=C3)(C)C)O)OC)O)C,REBVXJPVOISSEO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,3'-prenylated isoflavanones,none,none,none,none,none
636458,Furanodiene,OtherMutliCpd,Compound,C/C/1=C\CC2=C(C/C(=C/CC1)/C)OC=C2C,VMDXHYHOJPKFEK-IAVOFVOCSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
636462,Salfredin B11,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C3COC(=O)C3=C2O)C,ZYOUEEMPKPNVQW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
636470,Anigorootin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=C3C4=C(C=C2)C=CC5=C4[C@H]6[C@@H]7C8=C(C=CC9=C8C(=C(C=C9)C1=CC=CC=C1)C(=O)[C@@]7(O5)O)O[C@]6(C3=O)O,YOXXPZVESHZYHK-QXOULVPSSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavans,none,none,none,none,none,none
636472,Anigorufone,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2,ACJJXELQAJQSLK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
636475,Darwinol,OtherMutliCpd,Compound,CC1([C@@H]2CC=C([C@H]1C2)CO)C,RXBQNMWIQKOSCS-RKDXNWHRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
636537,Trichostachine,OtherMutliCpd,Compound,C1CCN(C1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3,GQIJYUMTOUBHSH-IJIVKGSJSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
636583,Macaridine,OtherMutliCpd,Compound,C1C(=C(C=CN1O)C=O)CC2=CC=CC=C2,PHSAQLJHWJOCBJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Dihydropyridines,none,none,none,none,none,none
636708,4-Hydroxy-enol-phenylpyruvate,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C(/C(=O)O)\O)O,GQYBCIHRWMPOOF-YVMONPNESA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
636750,gamma-Asarone,OtherMutliCpd,Compound,COC1=CC(=C(C=C1CC=C)OC)OC,AUNAUZZQBAIQFJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
636822,alpha-Asarone,OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C=C1OC)OC)OC,RKFAZBXYICVSKP-AATRIKPKSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
636970,Camalexin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3,IYODIJVWGPRBGQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
636981,Cyclolinopeptide I,OtherMutliCpd,Compound,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCS(=O)C,GJIDPIIOUZERFG-ONEWMBNISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
637050,Dictyoquinazol A,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)N2C=NC3=C(C2=O)C=C(C=C3)OC)CO,SHUSJJZZTZAKPD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
637141,Licoagrodin,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)[C@]23[C@H]([C@H]4C5=C(C=C(C=C5)O)O[C@H]6[C@]4(O2)C7=C(O6)C(=C(C=C7)O)CC=C(C)C)C(=O)C8=CC(=C(C=C8O3)O)CC=C(C)C)O)C,IUNNUKJWKPJUCQ-AHJAKLPMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,6-prenylated flavans,6-prenylated flavanones,none,none,none,none,none
637142,AC1LCTLD,OtherMutliCpd,Compound,CC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C[C@@](C)(CC(=O)O)O)O)O)O,WCVUIHQUPRXYKT-XUGHYYTGSA-N,Organic compounds,Lipids and lipid-like molecules,Saccharolipids,none,Saccharolipids,none,none,none,none,none,none
637213,rhapontin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,GKAJCVFOJGXVIA-DXKBKAGUSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
637304,Americanol A,OtherMutliCpd,Compound,C1=CC2=C(C=C1/C=C/CO)O[C@@H]([C@H](O2)C3=CC(=C(C=C3)O)O)CO,NKYXNCKZTCGVJJ-ZHEVZCJESA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxanes,Phenylbenzodioxanes,Phenylbenzo-1--4-dioxanes,none,none,none,none,none,none
637308,p-Hydroxyphenethyl trans-ferulate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=C(C=C2)O)O,JMSFLLZUCIXALN-WEVVVXLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
637429,Calebin-A,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,UYEWRTKHKAVRDI-ASVGJQBISA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
637511,cinnamaldehyde,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C=O,KJPRLNWUNMBNBZ-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
637540,2-Hydroxycinnamic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)/C=C/C(=O)O)O,PMOWTIHVNWZYFI-AATRIKPKSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
637541,3-Hydroxycinnamic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)/C=C/C(=O)O,KKSDGJDHHZEWEP-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
637542,p-coumaric acid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)O)O,NGSWKAQJJWESNS-ZZXKWVIFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
637563,trans-Anethole,OtherMutliCpd,Compound,C/C=C/C1=CC=C(C=C1)OC,RUVINXPYWBROJD-ONEGZZNKSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
637564,"2	4-HEXADIENAL",OtherMutliCpd,Compound,C/C=C/C=C/C=O,BATOPAZDIZEVQF-MQQKCMAXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
637579,AC1LCUIW,OtherMutliCpd,Compound,C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@H]([C@@]3([C@@H]4[C@@H](CC[C@]3(C2)O)[C@@]5(CC[C@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O,LPMXVESGRSUGHW-NZMIQZKWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
637759,Benzalacetone,OtherMutliCpd,Compound,CC(=O)/C=C/C1=CC=CC=C1,BWHOZHOGCMHOBV-BQYQJAHWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
637760,Chalcone,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2,DQFBYFPFKXHELB-VAWYXSNFSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
637775,SINAPIC ACID,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O,PCMORTLOPMLEFB-ONEGZZNKSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
637858,Piperlongumine,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O,VABYUUZNAVQNPG-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,none,Cinnamic acids and derivatives,none,none,none,none,none,none
638015,retinal,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,NCYCYZXNIZJOKI-OVSJKPMPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
638024,piperine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3,MXXWOMGUGJBKIW-YPCIICBESA-N,Organic compounds,Alkaloids and derivatives,none,none,Alkaloids and derivatives,none,none,none,none,none,none
638215,18110-87-7,OtherMutliCpd,Compound,COC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)OC,ATONBUGCNDSBBC-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Indolonaphthyridine alkaloids,none,Indolonaphthyridine alkaloids,none,none,none,none,none,none
638278,isoliquiritigenin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O,DXDRHHKMWQZJHT-FPYGCLRLSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
638391,2-hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C3C=C(C(=O)C4=CC=CC(=C43)C=C2)O,PVZKBQMWQRUUFI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
638759,"3	4'-Dihydroxypropiophenone",OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)CCO)O,LTEPZFZSPZASKJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
639591,UNII-BV0ZG2K9EU,OtherMutliCpd,Compound,CON1C2=CC=CC=C2C3=C1C(=NC=C3)C=C,CXIOSEMXFPKHOB-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
639653,AC1LCYZ2,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@@H]7C[C@@](CC8)(C)C(=O)O)C(=O)O)C)C)C)CO)O)O)CO)O)O)O)O)O,UPPXMONNNGGKMB-BCHFNXGRSA-N,none,none,none,none,none,none,none,none,none,none,none
639665,Xanthohumol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)O)C,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
641294,4-Methoxycinnamaldehyde,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C=O,AXCXHFKZHDEKTP-NSCUHMNNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
641296,"4	4'-DIMETHOXYSTILBENE",OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OC,CAWFCZIEFIQKRV-ONEGZZNKSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
641297,832-01-9,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C(=O)OC,VEZIKIAGFYZTCI-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
641298,2-Methoxycinnamaldehyde,OtherMutliCpd,Compound,COC1=CC=CC=C1/C=C/C=O,KKVZAVRSVHUSPL-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
641301,3-(4-hydroxyphenyl)acrylaldehyde,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C=O)O,CJXMVKYNVIGQBS-OWOJBTEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
641376,moracin N,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)O)C,WBSCSIABHGPAMC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
641378,Moracin D,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C(C=C2O)C3=CC4=C(O3)C=C(C=C4)O)C,CHAAQDMHLLQJRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
641637,enol-phenylpyruvate,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C(/C(=O)O)\O,DEDGUGJNLNLJSR-VURMDHGXSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
641764,N-trans-Feruloyl tryptamine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)O,LWRQDNUXWLIWDB-VQHVLOKHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
641818,4'-Methoxychalcone,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2,KJHHAPASNNVTSN-KPKJPENVSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
642117,28588-73-0,OtherMutliCpd,Compound,CC1=CC(=C(O1)C)SSC2=C(OC(=C2)C)C,JDWCALSZHJBMIQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
642376,Butylidenephthalide,OtherMutliCpd,Compound,CCC/C=C\1/C2=CC=CC=C2C(=O)O1,WMBOCUXXNSOQHM-FLIBITNWSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Isobenzofuranones,none,none,none,none,none,none
642531,AC1LD581,OtherMutliCpd,Compound,CC1=C(C(=C(C=C1C2=CC(=C(C(=C2C)O)O)C(C)C)C(C)C)O)O,BUKCOURGDZTOBF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenols,Biphenols,none,none,none,none,none,none
643007,Xanthoangelol,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C,LRSMBOSQWGHYCW-MDGZPELGSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
643139,3-Hexenal,OtherMutliCpd,Compound,CC/C=C/CC=O,GXANMBISFKBPEX-ONEGZZNKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
643658,Guggulsterone-M,OtherMutliCpd,Compound,C/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)/OC,WOVLRQSWILBDQL-IABMEBKLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
643733,Wyerone,OtherMutliCpd,Compound,CC/C=C\C#CC(=O)C1=CC=C(O1)/C=C/C(=O)OC,NQZCQIDFBYCBAU-JHGYFVHDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Heterocyclic fatty acids,Furanoid fatty acids,none,none,none,none,none
643789,(Z)-But-2-en-1-ol,OtherMutliCpd,Compound,C/C=C\CO,WCASXYBKJHWFMY-IHWYPQMZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
643941,cis-3-Hexenal,OtherMutliCpd,Compound,CC/C=C\CC=O,GXANMBISFKBPEX-ARJAWSKDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
643950,cis-Crotonaldehyde,OtherMutliCpd,Compound,C/C=C\C=O,MLUCVPSAIODCQM-IHWYPQMZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated aldehydes,Enals,none,none,none,none
643975,flavin adenine dinucleotide,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O,VWWQXMAJTJZDQX-UYBVJOGSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Flavin nucleotides,none,Flavin nucleotides,none,none,none,none,none,none
643987,6'-Sialyllactose,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O,VMWYCXKMRSTDSP-GIGDJUIZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
643988,"D-glucose	 O-5-(acetylamino)-3	5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-amino-2-deoxy-",OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)O)O)O)O,KNCBIECJUBQYDY-GIGDJUIZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
644078,"1	2-Dipalmitoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,JEJLGIQLPYYGEE-XIFFEERXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
644106,GDP-glucose,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N,MVMSCBBUIHUTGJ-LRJDVEEWSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
644112,6-O-beta-D-galactopyranosyl-D-glucose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O,AYRXSINWFIIFAE-ONMPCKGSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
644173,Inosine pyrophosphate,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,JPXZQMKKFWMMGK-VTHZCTBJSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside diphosphates,none,none,none,none,none,none
644175,Mannose 1-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O)O,HXXFSFRBOHSIMQ-QTVWNMPRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
644245,Cer(d18:0/26:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,NWERZHCPHDHUMO-WZYYJWNZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
644260,Dihydrosphingosine 1-phosphate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O,YHEDRJPUIRMZMP-ZWKOTPCHSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
644312,AC1LD8ZC,OtherMutliCpd,Compound,C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3,MRULUIQNANUWTK-ZVAWYAOSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
644322,"Dihydroisoxazole	 3a",OtherMutliCpd,Compound,CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2CC(=NO2)Br,BSTJPNGHACQASN-ABLWVSNPSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
644350,anhydroleucovorin,OtherMutliCpd,Compound,C1[C@@H]2CN(C=[N+]2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-],MEANFMOQMXYMCT-OLZOCXBDSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
655635,SMR000006177,OtherMutliCpd,Compound,CCCC1(C2C(C(N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N(C2=O)CC)C(=O)OCC,PWHHLLSJOAWOAM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
656449,AC1LCUZD,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)CO,DWVYYKFZEDMMPU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
656456,AC1LCUZY,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4C=O)O)C)C,ZLQSSFNCEUGGJF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
656504,"(2R	3R	4S	5R	6R)-2-(2	3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3	4	5-triol",OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O,NHJUPBDCSOGIKX-VGPGGAHRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,Glycosylglycerols,none,none,none,none,none,none
656562,AC1LCV7D,OtherMutliCpd,Compound,COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)[O-])S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,IIAGSABLXRZUSE-UFRBAHOGSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Glucosinolates,Alkylglucosinolates,none,none,none
656582,SACCHARIN SODIUM,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],WINXNKPZLFISPD-UHFFFAOYSA-M,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
656760,Dehydrosoyasaponin I,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O,CROUPKILZUPLQA-ITVSDQETSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
656969,Phosphodiesterase 4 Inhibitor,OtherMutliCpd,Compound,CCOC(=O)C1=C(N(N=C1C)C2=CC(=CC=C2)[N+](=O)[O-])C,MSYGAHOHLUJIKV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
657180,Leuprolide acetate,Drug,Compound,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,RGLRXNKKBLIBQS-XNHQSDQCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
657237,Fludarabine,Drug,Compound,C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)F,HBUBKKRHXORPQB-FJFJXFQQSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
657311,Otobiotic,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O,JYGXADMDTFJGBT-CZFMHFDVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
659917,TCMDC-123663,OtherMutliCpd,Compound,CCCCNC1=NC(=NC(=C1)C)NCC2=CC=CC=C2,DPOXNTYFLHVMNX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylamines,Benzylamines,none,none,none,none,none,none
661461,SMR000042043,OtherMutliCpd,Compound,CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC(=C(C=C4)O)OC)C#N,JFGMPCRTQNLLDX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Phenylquinolines,Phenylquinolines,none,none,none,none,none,none
667477,doxepin,Drug,Compound,CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31,ODQWQRRAPPTVAG-GZTJUZNOSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxepines,Dibenzoxepines,Dibenzoxepines,none,none,none,none,none,none
667639,piceatannol,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O,CDRPUGZCRXZLFL-OWOJBTEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
673160,Ethyl vanillin isobutyrate,OtherMutliCpd,Compound,CCOC1=C(C=CC(=C1)C=O)OC(=O)C(C)C,BTCQMCOBMIXUCG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
688035,nordihydroguaiaretate,OtherMutliCpd,Compound,C[C@@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)O,HCZKYJDFEPMADG-RYUDHWBXSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,none,Dibenzylbutane lignans,none,none,none,none,none,none
688036,103185-28-0,OtherMutliCpd,Compound,C[C@H](CC1=CC(=C(C=C1)O)O)[C@H](C)CC2=CC(=C(C=C2)O)O,HCZKYJDFEPMADG-VXGBXAGGSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,none,Dibenzylbutane lignans,none,none,none,none,none,none
689043,caffeic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O)O)O,QAIPRVGONGVQAS-DUXPYHPUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
697963,3179-10-0,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/[N+](=O)[O-],JKQUXSHVQGBODD-VOTSOKGWSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
699414,4-Methoxycinnamic acid,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C(=O)O,AFDXODALSZRGIH-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acids,Cinnamic acids,none,none,none,none,none,none
700861,"1-(2	4	5-trimethoxyphenyl)propan-1-one",OtherMutliCpd,Compound,CCC(=O)C1=CC(=C(C=C1OC)OC)OC,KUQHFNICKXWOBZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
709625,Cinnamoylglycine,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O,YAADMLWHGMUGQL-VOTSOKGWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
717531,"3	4-DIMETHOXYCINNAMIC ACID",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C/C(=O)O)OC,HJBWJAPEBGSQPR-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
735755,"3	4	5-TRIMETHOXYCINNAMIC ACID",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O,YTFVRYKNXDADBI-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
735841,"2	3	4-Trimethoxycinnamic acid",OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)/C=C/C(=O)O)OC)OC,ZYOPDNLIHHFGEC-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
735846,"Methyl 3	4	5-trimethoxycinnamate",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC,KLXHCGFNNUQTEY-AATRIKPKSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
736172,UNII-T9EAH8NHTC,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H](C(=O)O)O)O,CGQCWMIAEPEHNQ-QMMMGPOBSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
736186,Isoferulic acid,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C/C(=O)O)O,QURCVMIEKCOAJU-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
736316,(R)-Piperidine-2-carboxylic acid,OtherMutliCpd,Compound,C1CCN[C@H](C1)C(=O)O,HXEACLLIILLPRG-RXMQYKEDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,D-alpha-amino acids,none,none,none
761523,m-3M3FBS,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C,ZIIUUSVHCHPIQD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Sulfanilides,Sulfanilides,none,none,none,none,none,none
764139,120-11-6,OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC,YKSSSKBJDZDZTD-XVNBXDOJSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
764175,MLS000540111,OtherMutliCpd,Compound,CCOC(=O)C1=CN=C2C(=C(NN2C1=O)C3=CC=CC=C3)C,DVXPSCPBKPUDFJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
821347,Dehydronuciferine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC,JBGSWIBJAGBGOP-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
826073,edulitine,OtherMutliCpd,Compound,COC1=CC=CC2=C1NC(=O)C=C2OC,HPPSTURWGYFXQN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
853019,"(R	R)-(+)-Hydrobenzoin",OtherMutliCpd,Compound,C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)O,IHPDTPWNFBQHEB-ZIAGYGMSSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
853433,Isoeugenol,OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C=C1)O)OC,BJIOGJUNALELMI-ONEGZZNKSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
876160,Acetylisoeugenol,OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C=C1)OC(=O)C)OC,IUSBVFZKQJGVEP-SNAWJCMRSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
876315,AC1LGSYN,OtherMutliCpd,Compound,C1=CC=C(C(=C1)[C@H]2NC3=CC=CC=C3C(=O)N2O)[N+](=O)[O-],FNBGTIABOVYVKH-ZDUSSCGKSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
927642,Cochliophilin A,OtherMutliCpd,Compound,C1OC2=C(O1)C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O,NJIUXIXNVAHRDW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
928446,"Pyridine	 3-(5-(p-methoxyphenyl)-2-oxazolyl)-",OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3,LHPXYPROPRFEQE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Oxazoles,Phenyl-1--3-oxazoles,none,none,none,none,none,none
940263,4-Mercapto-2-methylquinoline,OtherMutliCpd,Compound,CC1=CC(=S)C2=CC=CC=C2N1,FQKLIBNGRKRDCL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Hydroquinolines,Hydroquinolines,none,none,none,none,none,none
969472,Eszopiclone,Drug,Compound,CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,GBBSUAFBMRNDJC-INIZCTEOSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,Cyclopyrrolones,Cyclopyrrolones,none,none,none,none,none,none
969516,curcumin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,VFLDPWHFBUODDF-FCXRPNKRSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
1009344,ZINC00669281,OtherMutliCpd,Compound,CC1(CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)F)C(=O)C1)C,IZWGYTYFDIKNKH-JOCHJYFZSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
1040837,2074-56-8,OtherMutliCpd,Compound,CC(=O)OC1=CC2=C(C=C1)C3=C(C4=CC(=C(C=C4O3)OC(=O)C)OC(=O)C)C(=O)O2,XZTLRBKHOHDMTG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
1042026,Rubemamine,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC,OZNUPWACHHUIKC-JXMROGBWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid amides,Cinnamic acid amides,none,none,none,none,none,none
1151680,SMR000117720,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)C3=CC=C(C=C3)OC)C,UCVZLNNJKDOOBO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
1151711,ASN 02749652,OtherMutliCpd,Compound,CN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3,VZAIFVKTKJTLKF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridyltriazoles,Pyridyl-1--2--4-triazoles,none,none,none,none,none,none
1151718,BAS 03153061,OtherMutliCpd,Compound,C1CN(CCN1C(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3,WNQJZQMIEZWFIN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
1201518,(-)-Borneol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C1(C)C)C[C@H]2O,DTGKSKDOIYIVQL-QXFUBDJGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
1201530,(-)-trans-Pinocarveol,OtherMutliCpd,Compound,CC1([C@H]2C[C@@H]1C(=C)[C@@H](C2)O)C,LCYXQUJDODZYIJ-DJLDLDEBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
1348547,"5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1	3-dimethyl-2-sulfanylidene-1	3-diazinane-4	6-dione",OtherMutliCpd,Compound,CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)OCC3=CC=C(C=C3)F,DSPSGZSNEWKNSM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,Thiobarbituric acid derivatives,none,none,none,none,none
1548886,AC1LU7GW,Drug,Compound,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)[O-],MLKXDPUZXIRXEP-MFOYZWKCSA-M,Organic compounds,Benzenoids,Indenes and isoindenes,none,Indenes and isoindenes,none,none,none,none,none,none
1548910,cis-resveratrol,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O,LUKBXSAWLPMMSZ-UPHRSURJSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
1548912,Chavicine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C\C=C/C2=CC3=C(C=C2)OCO3,MXXWOMGUGJBKIW-PORYWJCVSA-N,Organic compounds,Alkaloids and derivatives,none,none,Alkaloids and derivatives,none,none,none,none,none,none
1548913,Isopiperine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C\C=C\C2=CC3=C(C=C2)OCO3,MXXWOMGUGJBKIW-BPMFVRGZSA-N,Organic compounds,Alkaloids and derivatives,none,none,Alkaloids and derivatives,none,none,none,none,none,none
1548943,Capsaicin,Drug,Compound,CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC,YKPUWZUDDOIDPM-SOFGYWHQSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
1548952,ZINC01530601,Drug,Compound,CC[NH+](CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3,GKIRPKYJQBWNGO-OCEACIFDSA-O,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
1549040,cis-Anethole,OtherMutliCpd,Compound,C/C=C\C1=CC=C(C=C1)OC,RUVINXPYWBROJD-ARJAWSKDSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
1549045,cis-Methylisoeugenol,OtherMutliCpd,Compound,C/C=C\C1=CC(=C(C=C1)OC)OC,NNWHUJCUHAELCL-PLNGDYQASA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
1549091,cis-sinapic acid,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C\C(=O)O,PCMORTLOPMLEFB-ARJAWSKDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
1549095,CONIFERYL ALCOHOL,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/CO)O,JMFRWRFFLBVWSI-NSCUHMNNSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
1549106,cis-p-Coumaric acid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C\C(=O)O)O,NGSWKAQJJWESNS-UTCJRWHESA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
1549111,Caffeate,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C\C(=O)O)O)O,QAIPRVGONGVQAS-RQOWECAXSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
1549522,4-(2-Furyl)-3-buten-2-one,OtherMutliCpd,Compound,CC(=O)/C=C\C1=CC=CO1,GBKGJMYPQZODMI-PLNGDYQASA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
1549992,Bisabolol,OtherMutliCpd,Compound,CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O,RGZSQWQPBWRIAQ-LSDHHAIUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
1550607,Auraptene,OtherMutliCpd,Compound,CC(=CCC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C,RSDDHGSKLOSQFK-RVDMUPIBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
1550846,Cinnamonitrile,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C#N,ZWKNLRXFUTWSOY-QPJJXVBHSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
1550884,Hexyl cinnamic aldehyde,OtherMutliCpd,Compound,CCCCCC/C(=C\C1=CC=CC=C1)/C=O,GUUHFMWKWLOQMM-NTCAYCPXSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
1550886,UNII-78Q46SZU33,OtherMutliCpd,Compound,C/C=C\C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC,YKSSSKBJDZDZTD-CLTKARDFSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
1550888,AC1LT45Q,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/COC(=O)/C=C\C2=CC=CC=C2,NQBWNECTZUOWID-QSYVVUFSSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
1550909,UNII-4M86IN985V,OtherMutliCpd,Compound,CCOC(=O)/C=C\C1=CC=CO1,MWZBTMXISMOMAE-WAYWQWQTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
1586190,AC1LUOD7,OtherMutliCpd,Compound,C[C@@H](C(=O)O)N1C(=O)/C(=C/C2=CN=CC=C2)/SC1=S,KDYSKVJPLKZMGI-VYVBZAQUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
1608346,ZINC01832155,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-],XHSURMJJKAFELI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
1623625,Amylcinnamaldehyde,OtherMutliCpd,Compound,CCCCC/C(=C\C1=CC=CC=C1)/C=O,HMKKIXGYKWDQSV-SDNWHVSQSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
1712057,AC1LVUHY,OtherMutliCpd,Compound,CC(C)COC(=O)/C=C\C1=CC=CC=C1,IQZUZPKOFSOVET-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
1712391,N-decanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCC(=O)NCC(=O)O,WRRYZYASRAUROW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
1715056,AC1LVZMB,OtherMutliCpd,Compound,C1=COC(=C1)/C=C\C=O,VZIRCHXYMBFNFD-IWQZZHSRSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
1715097,(-)-Neoisomenthol,OtherMutliCpd,Compound,C[C@H]1CC[C@H]([C@H](C1)O)C(C)C,NOOLISFMXDJSKH-GUBZILKMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
1715136,isoeugenyl acetate 2,OtherMutliCpd,Compound,C/C=C\C1=CC(=C(C=C1)OC(=O)C)OC,IUSBVFZKQJGVEP-PLNGDYQASA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
1781412,AC1LWQ1T,OtherMutliCpd,Compound,CC(=CCC/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/C)C,GNMUGVNEWCZUAA-SGRLLCBQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
1794425,cis-chlorogenic acid,OtherMutliCpd,Compound,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C\C2=CC(=C(C=C2)O)O)O)O,CWVRJTMFETXNAD-XYXZIBEBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
1794427,CHLOROGENIC ACID,OtherMutliCpd,Compound,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,CWVRJTMFETXNAD-JUHZACGLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
2056198,1-cis-Cinnamoylpyrrolidine,OtherMutliCpd,Compound,C1CCN(C1)C(=O)/C=C\C2=CC=CC=C2,JSIGICUAXLIURX-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,none,Cinnamic acids and derivatives,none,none,none,none,none,none
2218032,BAS 00131974,OtherMutliCpd,Compound,C1=CC(=CC(=C1)S(=O)(=O)N(CCO)CCO)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-],YCRWMHQZCWMKKW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Anilides,Aromatic anilides,Benzanilides,none,none,none,none,none
2723710,4-Nitrophenyl phosphate disodium salt hexahydrate,OtherMutliCpd,Compound,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+],KAKKHKRHCKCAGH-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Aryl phosphates,Aryl phosphomonoesters,Phenyl phosphates,none,none,none,none
2723816,SODIUM PROPIONATE,OtherMutliCpd,Compound,CCC(=O)[O-].[Na+],JXKPEJDQGNYQSM-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
2723895,5alpha-Cholestane,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C,XIIAYQZJNBULGD-XWLABEFZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholestane steroids,none,none,none,none,none,none
2724161,(+)-Terpinen-4-ol,OtherMutliCpd,Compound,CC1=CC[C@@](CC1)(C(C)C)O,WRYLYDPHFGVWKC-SNVBAGLBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
2724333,ST092335,OtherMutliCpd,Compound,[C@H]1([C@@H]2[C@@H]([C@H](C(=O)O2)O)O[C@H]1O)O,OGLCQHRZUSEXNB-WHDMSYDLSA-N,Organic compounds,Organoheterocyclic compounds,Furofurans,Isosorbides,Isosorbides,none,none,none,none,none,none
2724385,digoxin,Drug,Compound,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,LTMHDMANZUZIPE-PUGKRICDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
2724691,SODIUM STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+],RYYKJJJTJZKILX-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
2724705,Leucoglucosan,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,TWNIBLMWSKIRAT-VFUOTHLCSA-N,Organic compounds,Organoheterocyclic compounds,Oxepanes,none,Oxepanes,none,none,none,none,none,none
2724794,L-Threonolactone,OtherMutliCpd,Compound,C1[C@@H]([C@H](C(=O)O1)O)O,SGMJBNSHAZVGMC-STHAYSLISA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
2733525,Tamoxifen citrate,Drug,Compound,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,FQZYTYWMLGAPFJ-OQKDUQJOSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
2733768,Taurodeoxycholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,AWDRATDZQPNJFN-VAYUFCLWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
2733785,Indoxyl glucuronide,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,KUYNOZVWCFXSNE-BYNIDDHOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
2734646,"2	3-Dimethylbenzofuran",OtherMutliCpd,Compound,CC1=C(OC2=CC=CC=C12)C,YGBXXWTZWLALGR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
2735067,Sodium dodecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)[O-].[Na+],BTURAGWYSMTVOW-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
2754650,Irenolone,OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(=O)C(=CC3=C(C=C2)C4=CC=C(C=C4)O)O,UQMKPTIDKHEGFW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
2759303,67526-82-3,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C2=CC=C(C=C2)O)C(=O)O,WJRHSYCQNCDYMN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
2761171,ethionamide,Drug,Compound,CCC1=NC=CC(=C1)C(=S)N,AEOCXXJPGCBFJA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
2762430,"1-(3	4-dihydroxyphenyl)propan-2-one",OtherMutliCpd,Compound,CC(=O)CC1=CC(=C(C=C1)O)O,JQXBETDGCMQLMK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
2781043,Erythronic acid,OtherMutliCpd,Compound,C([C@H]([C@H](C(=O)O)O)O)O,JPIJQSOTBSSVTP-PWNYCUMCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
2921003,SMR000107997,OtherMutliCpd,Compound,CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43,UWBODVUETSVAQN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
3001028,Estrone sulfate,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O,JKKFKPJIXZFSSB-CBZIJGRNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
3001662,Besigomsin,OtherMutliCpd,Compound,C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@]1(C)O)OC)OC)OC)OC)OCO3,ZWRRJEICIPUPHZ-MYODQAERSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
3003983,NSC600881,OtherMutliCpd,Compound,CCOC(=O)/C(=C(/C)\NC1=NC2=C(S1)C=CC3=CC=CC=C32)/Cl,ORANXPAQAAJTLA-GXDHUFHOSA-N,Organic compounds,Organoheterocyclic compounds,Naphthothiazoles,none,Naphthothiazoles,none,none,none,none,none,none
3004297,NSC643007,OtherMutliCpd,Compound,C1CNC(=S)C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3,YHAYSIGUKKXZJH-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
3005362,NSC694967,OtherMutliCpd,Compound,CN\1CCC/C1=C/2\C(=O)C3=CC=CN3C2=O,YCEWWCZXNFGMOI-NTMALXAHSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
3005381,NSC695325,OtherMutliCpd,Compound,CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)Cl,KZGNLJVFKSDIRM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,N-phenylthioureas,N-phenylthioureas,none,none,none,none,none,none
3005572,TOREMIFENE CITRATE,Drug,Compound,CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,IWEQQRMGNVVKQW-OQKDUQJOSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
3010100,"4'-Hydroxy-5	6	7	8-tetramethoxyflavone",OtherMutliCpd,Compound,COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC)OC,IECRXMSGDFIOEY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
3011155,Nelarabine,Drug,Compound,COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,IXOXBSCIXZEQEQ-UHTZMRCNSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
3015189,AVOCADYNE,OtherMutliCpd,Compound,C#CCCCCCCCCCCCC(CC(CO)O)O,OHLQBKZXSJYBMK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
3015979,3-(Methylthio)hexanal,OtherMutliCpd,Compound,CCCC(CC=O)SC,VIVJHDGDCOQORO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
3016413,43119-53-5,OtherMutliCpd,Compound,CCOC(=O)C1CC2=CC=CC=C2O1,UXWAUYCFFCPXGC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Coumarans,none,Coumarans,none,none,none,none,none,none
3016654,"1-(4-methoxyphenyl)propane-1	2-diol",OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)O)O,MRDZSBVJWOXBRW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
3017760,3-Ethylfuran,OtherMutliCpd,Compound,CCC1=COC=C1,RPCHNECSJGMRGP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
3017884,3-Hydroxydecanedioic acid,OtherMutliCpd,Compound,C(CCCC(=O)O)CCC(CC(=O)O)O,OQYZCCKCJQWHIE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
3018500,"2	4-Dimethylnonan-4-ol",OtherMutliCpd,Compound,CCCCCC(C)(CC(C)C)O,ZCYIZHWZWCLYQE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
3018539,Methylthiomethyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OCSC,PGAUNUCMBMQPFT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
3018619,12-Methyltridecanal,OtherMutliCpd,Compound,CC(C)CCCCCCCCCCC=O,OQWNKUAZQSLNSR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
3025939,4-Furfurylthio-2-pentanone,OtherMutliCpd,Compound,CC(CC(=O)C)SCC1=CC=CO1,IUNKNKANRUMCNL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
3028410,5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC2CCC(=O)O2)O,GCIFEQYZDROELP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
3032309,Dimethylmaleic acid,OtherMutliCpd,Compound,C/C(=C(\C)/C(=O)O)/C(=O)O,CGBYBGVMDAPUIH-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
3032822,26445-07-8,OtherMutliCpd,Compound,CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C,JBSVQUOGNMYMSF-CIQUAOMQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
3032833,PREGNANETRIOL,OtherMutliCpd,Compound,CC([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O,SCPADBBISMMJAW-HWPIAJDMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
3032849,L-Hydroxylysine,OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)N)[C@H](CN)O,YSMODUONRAFBET-UHNVWZDZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
3033606,Tolylaldehyde glyceryl acetal,OtherMutliCpd,Compound,CC1=CC=CC=C1C2OCC(CO2)O,NCMQNBRXQZBDML-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
3033853,Monoglyceride citrate,OtherMutliCpd,Compound,C(C(COC(=O)CC(CC(=O)O)(C(=O)O)O)O)O,VQENOYXMFIFHCY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
3033957,Silidianin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O,CYGIJEJDYJOUAN-FAWCACSYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
3034010,orlistat,Drug,Compound,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,AHLBNYSZXLDEJQ-FWEHEUNISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Leucine and derivatives,none,none,none,none
3034034,Quinine,OtherMutliCpd,Compound,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,LOUPRKONTZGTKE-WZBLMQSHSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
3034320,cis-Thujanol,OtherMutliCpd,Compound,CC1[C@@H](C[C@@]2(C1C2)C(C)C)O,DZVXRFMREAADPP-YDYPAMBWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
3034755,"Androstane-3	17-diol glucuronide",OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)O,TWDCYBTXSUNASK-WGGIPMEBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
3034757,2-THIOXOTHIAZOLIDINE-4-CARBOXYLIC ACID,OtherMutliCpd,Compound,C1C(NC(=S)S1)C(=O)O,SQUOCHQOQMZGQP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
3035207,Ethiofencarb sulfoxide,OtherMutliCpd,Compound,CCS(=O)CC1=CC=CC=C1OC(=O)NC,OMOLDRXZKFFGJI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenyl methylcarbamates,Phenyl methylcarbamates,none,none,none,none,none,none
3035211,Brassinin,OtherMutliCpd,Compound,CSC(=S)NCC1=CNC2=CC=CC=C21,QYKQWFZDEDFELK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
3035420,3-methoxy-4-hydroxyphenylglycol sulfate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(CO)OS(=O)(=O)O)O,SBKADJXSGGTEPN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
3035422,2-Methylguanosine,OtherMutliCpd,Compound,CNC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,SLEHROROQDYRAW-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
3035453,epinephrine sulfate,OtherMutliCpd,Compound,CNC[C@@H](C1=CC(=C(C=C1)OS(=O)(=O)O)O)O,AELFRHHZGTVYGJ-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
3035624,Esculentoside H,OtherMutliCpd,Compound,C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC,UQCUBQIHIKJPHI-IEGHAIBGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3035680,"N-[(2R	3R	4R	5R)-5	6-dihydroxy-1-oxo-4-{[(2S	3R	4S	5R	6R)-3	4	5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S	3S	4R	5S	6S)-3	4	5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide",OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O,ZAFUNKXZZPSTLA-MBKDEEHCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
3035848,Nicotine glucuronide,OtherMutliCpd,Compound,CN1CCC[C@H]1C2=C[N+](=CC=C2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O,SAWAIULJDYFLPD-SOAFEQHCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,N-glucuronides,none,none,none
3036931,isobutyryl-CoA,OtherMutliCpd,Compound,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,AEWHYWSPVRZHCT-NDZSKPAWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
3037212,Thiamin-allyl-disulfid,OtherMutliCpd,Compound,CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\SSCC=C)/C,WNCAVNGLACHSRZ-KAMYIIQDSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Aminopyrimidines and derivatives,none,none,none,none,none,none
3037463,Methoxybrassinin,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)CNC(=S)SC,KFZBENSULWNJKD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
3037582,galactaric acid,OtherMutliCpd,Compound,[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O,DSLZVSRJTYRBFB-DUHBMQHGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,none,none,none,none,none
3037928,Antibiotic X-14889C,OtherMutliCpd,Compound,CC[C@H](C1[C@H](C[C@@](O1)(C)[C@]2([C@@H](C[C@@](O2)(CC)[C@H](C)O)C)O)C)C(=O)[C@@H](C)[C@H](C(C)[C@@H]3[C@H](C[C@H]([C@@H](O3)CC(=O)OO)C)C)O,TUKSVVJYALUTJH-PEKBWRIRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,none,none,none,none,none,none
3041802,Agavasaponin D,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)O)C)C)C)OC1,OONXKIRGWVQZDH-PAZRYQCWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3041804,Agavoside G,OtherMutliCpd,Compound,CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O,RYNILKIIIYRQCG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3041805,Agavasaponin H,OtherMutliCpd,Compound,CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)C)O)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O,UUFUBRZQDOOECH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3042721,Asparagoside D,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)C)OC1,DEXBUPZUMRUNGB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3042722,Asparagoside G,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O,RZZKWHQUBSTBSP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3042723,Asparagoside H,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O,SXCDJKBVZMMBQG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3043599,55826-88-5,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)C)C)C)OC1,JNTJNUDLVQQYGM-FTILQGHWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3043894,Agavoside C',OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)OC19CCC(CO9)C,VGWBUQPQZOSEEG-NNHMZJIGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3047739,Fraxinol,OtherMutliCpd,Compound,COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O,PBPNOAHYDPHKFH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
3047764,"2	6	10-Trimethylundecanoic acid",OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)C(=O)O,QFIWFUDXERFOIY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
3050416,Galanal A,OtherMutliCpd,Compound,C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@@H]3O)C=O)C=O)(C)C,UDKRLAJJSYRYRU-VYMYIBDJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
3055167,Byakangelicol,OtherMutliCpd,Compound,CC1([C@H](O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C,ORBITTMJKIGFNH-LLVKDONJSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
3072500,Alloside B,OtherMutliCpd,Compound,C[C@@H]([C@H]1[C@@H](CC2[C@@]1(CCC3C2CC=C4[C@@]3(C(CC(C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C(CCC(C)C)O,JPJDIOVDAAVUNF-VQEDGKDMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
3080603,Dihydroxycoprostane,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,APYVEUGLZHAHDJ-TVRYRFOISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
3080612,12-Ketolithocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,CVNYHSDFZXHMMJ-VPUMZWJWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
3080632,delta(7)-Stigmastenol,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,YSKVBPGQYRAUQO-NEWNUQLJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
3080633,Folienetriol,OtherMutliCpd,Compound,CC(=CCC[C@@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)C,PYXFVCFISTUSOO-ZEUDUZSSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3080668,THMD,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)O,ORMFWDWAJNERRN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
3080714,Callistephin chloride,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O.[Cl-],CAHGSEFWVUVGGL-UBNZBFALSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
3080745,Kdpg intermediate,OtherMutliCpd,Compound,C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O,OVPRPPOVAXRCED-WVZVXSGGSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
3080759,Triiodothyronine glucuronide,OtherMutliCpd,Compound,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,YYFGGGCINNGOLE-ZDXOGFQLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
3080956,AC1MIW1R,OtherMutliCpd,Compound,CC(=CCC[C@](C)(C1CC[C@]2(C1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC)O)O)O)C,BNZOLFYVVATYOM-SGAXLEMTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3081016,Piperolactam A,OtherMutliCpd,Compound,COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)O,KBGNBPGXVKPRQI-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aristolactams,none,Aristolactams,none,none,none,none,none,none
3081220,AMG 1,OtherMutliCpd,Compound,C1=CC(=NC=C1O)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,IRZNDKKKFMEHTG-XNIJJKJLSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
3081382,DPPS,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC,KLFKZIQAIPDJCW-HTIIIDOHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
3081462,Harderoporphyrin,OtherMutliCpd,Compound,CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C,KECOXFKVIHSIBO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
3081548,Kuwanon D,OtherMutliCpd,Compound,CC1(C2CCC3(C2C1C4=CC(=C(C=C4O3)O)C5CC(=O)C6=C(C=C(C=C6O5)O)O)C)C,IJVOVAHXZFALHZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,3'-prenylated flavans,3'-prenylated flavanones,none,none,none,none,none
3081700,1'-O-Acetylpaxilline,OtherMutliCpd,Compound,CC(=O)OC(C)(C)[C@@H]1C(=O)C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC=CC=C6N5)C)O)C,OHPVFSRTGKOAHP-FPCGACKZSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
3081884,Glatiramer acetate,Drug,Compound,C[C@@H](C(=O)O)N.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,FHEAIOHRHQGZPC-KIWGSFCNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
3081930,Curzerenone,OtherMutliCpd,Compound,CC1=COC2=C1C(=O)[C@@H]([C@@](C2)(C)C=C)C(=C)C,ZVMJXSJCBLRAPD-ZFWWWQNUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
3081970,Lactyl-coa,OtherMutliCpd,Compound,CC(C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,VIWKEBOLLIEAIL-FBMOWMAESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
3082004,Heptadecyl-coa,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,DRABUZIHHACUPI-DUPKZGIXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
3082042,ANGIOTENSIN III,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)N,QMMRCKSBBNJCMR-KMZPNFOHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
3082054,4-O-Galactopyranosylxylose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O)O,BYZQBCIYLALLPA-NOPGXMAYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
3082163,1-Stearoyl-2-myristoylphosphatidylcholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,MZWGYEJOZNRLQE-KXQOOQHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
3082169,"3	2'-DL",OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)CO)O)O)O)O)O,BRHHWBDLMUBZQQ-JZEMXWCPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
3082284,D-Mannose-O-beta-D-mannopyranosyl-(1-4)-O-beta-D-mannopyranosyl-(1-4)-,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O,OXEVOBRQLSFMMV-WPNFGHGHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
3082405,5C-aglycone,OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)CCC(C)C(=O)O,ALLYVKRLOHDVKI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
3082428,Istanbulin A,OtherMutliCpd,Compound,C[C@@H]1CCC(=O)[C@H]2[C@]1(CC3=C(C(=O)O[C@]3(C2)O)C)C,HYBIDSYXKTYHCM-BXLXJPJESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
3082490,Dopamine glucuronide,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCN)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,CQASRCDNLNMIJY-BYNIDDHOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
3082612,Uralenolide,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5C[C@]6(C[C@@H]([C@@]5(CC[C@]43C)C)OC6=O)C)C)(C)CO)O,RIARKSMMKCXBML-MTKVKGGCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,none,Steroids and steroid derivatives,none,none,none,none,none,none
3082883,Enterostatin,OtherMutliCpd,Compound,C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N,ITZMJCSORYKOSI-AJNGGQMLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
3083390,Araloside G,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O,MROYUZKXUGPCPD-FMGADNLDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3083391,Elatoside F,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O,MLIQJRVPWRKGIO-BIRDKCKZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3083469,Elatoside E,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O,QISCHUABGXFSHX-JZBACSTASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3083497,Hovenidulcioside B1,OtherMutliCpd,Compound,C[C@@H]1C[C@H](OC1=O)C[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)C)OC(=O)C,CMTXBVHDOWHMEA-AGGDBPHMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,none,none,none,none,none,none
3083498,Hovenidulcioside B2,OtherMutliCpd,Compound,C[C@@H]1C[C@H](OC1=O)C[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)OC(=O)C,ZWAMUWXPVAELPG-HRVCMFSSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,none,none,none,none,none,none
3083501,AC1MJ0QJ,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O,JDAWPEWWPCWNTN-IGYQPBFSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3083524,Lucyoside R,OtherMutliCpd,Compound,C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC([C@H](C5)O)(C)C)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C,XARTTWLFBGJXMU-WOQWDUHQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3083544,Arformoterol,Drug,Compound,C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O,BPZSYCZIITTYBL-YJYMSZOUSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,none,none,none,none,none,none
3083581,Eugenitin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)C)O,RGTSAUBIQAKKLC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
3083585,"Naphthalene-1	4	5-triol",OtherMutliCpd,Compound,C1=CC2=C(C=CC(=C2C(=C1)O)O)O,NHEVNUARLCWEED-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
3083592,Lactarazulene,OtherMutliCpd,Compound,CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C,KFLXZUPIDNPCSD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
3083597,Ayapin,OtherMutliCpd,Compound,C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3,MLQTZXHZYMNZJE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
3083608,Yuccagenin,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1,ORXKASWXOVPKDV-UBWBUNFISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3083613,Agropyrene,OtherMutliCpd,Compound,CC#CC#CCC1=CC=CC=C1,WXQYRBLGGSLJHA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
3083616,Fraxidin,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC,QNFBKOHHLAWWTC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
3083637,Sapogenol C,OtherMutliCpd,Compound,C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1CC(C=C2)(C)C)C,VNGUCOGHCJHFID-FLZFTVBESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3083688,Vanilloylglycine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(=O)NCC(=O)O)O,LOODYTDRRBLQNH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Hippuric acids and derivatives,Hippuric acids,none,none,none,none
3083726,8-Hydroxybergapten,OtherMutliCpd,Compound,COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O,MVJHUMZXIJPVHV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
3083746,Acoramone,OtherMutliCpd,Compound,CC(=O)CC1=CC(=C(C=C1OC)OC)OC,AQZHZTTUVYQMIN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
3083779,17-Methyloctadecanoic acid,OtherMutliCpd,Compound,CC(C)CCCCCCCCCCCCCCCC(=O)O,YETXGSGCWODRAA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
3083821,3698-23-5,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)CC=C)OC,HZLYHZSHPUFYAR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
3083831,9-keto stearic acid,OtherMutliCpd,Compound,CCCCCCCCCC(=O)CCCCCCCC(=O)O,KNYQSFOUGYMRDE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
3083834,(+)-alpha-Curcumene,OtherMutliCpd,Compound,CC1=CC=C(C=C1)[C@@H](C)CCC=C(C)C,VMYXUZSZMNBRCN-AWEZNQCLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3083845,Demethoxysudachitin,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1O)OC)OC(=CC2=O)C3=CC=C(C=C3)O)O,SYGUVOLSUJYPPS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
3083977,"alpha	2-Dihydroxybenzenepropanoic acid",OtherMutliCpd,Compound,C1=CC=C(C(=C1)CC(C(=O)O)O)O,HXQBZGMVGIDZAJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
3083987,AC1L9DOB,OtherMutliCpd,Compound,CC(C)(C1CC2=C(C3=C(C=CC(=C3)O)[N+](=C2O1)C)OC)O,RUZDYQSFFIVRRP-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Dihydrofuranoquinolines,Dihydrofuranoquinolines,none,none,none,none,none,none
3084009,Sativol,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O,YLRNDYZYIUVEDH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
3084023,1-Salicylate glucuronide,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,JSCWDKKMLIQCMR-CDHFTJPESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
3084039,Cellulose acetate propionate,OtherMutliCpd,Compound,CCC(=O)OCC1C(C(C(C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC2C(C(C(C(O2)COC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC.CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O,HKQOBOMRSSHSTC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
3084119,12634-05-8,OtherMutliCpd,Compound,C[C@H]1C2C(CC3[C@@]2([C@H](CC4C3CCC5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)O)C)O[C@]18CCCCO8,MTZLHTRAIKFJLJ-PYUCPRTRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3084216,Aurasperone A,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)OC)O)C(=O)C=C(O5)C)OC,QAHRSPAZSGMZMT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
3084224,Oxonantenine,OtherMutliCpd,Compound,COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC5=C(C=C42)OCO5)OC,NFDVJYPMLVMXRR-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
3084311,19435-97-3,OtherMutliCpd,Compound,CC1=C[C@H]2[C@@H](CC[C@@]([C@H]2CC1)(C)O)C(C)C,LHYHMMRYTDARSZ-ZQDZILKHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3084331,T-Muurolol,OtherMutliCpd,Compound,CC1=C[C@H]2[C@@H](CC[C@]([C@H]2CC1)(C)O)C(C)C,LHYHMMRYTDARSZ-AJNGGQMLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3084336,homodihydrocapsaicin,OtherMutliCpd,Compound,CC(C)CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,AKDLSISGGARWFP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
3084375,triacontanal,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,CGNVIRPGBUXJES-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
3084376,Octacosanal,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,LVXORIXZNUNHGQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
3084407,Vicenin 2,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O,FIAAVMJLAGNUKW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
3084429,12-Tricosanol,OtherMutliCpd,Compound,CCCCCCCCCCCC(CCCCCCCCCCC)O,PFMNFSXMCRSYMU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
3084462,Hexacosanal,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC=O,QAXXQMIHMLTJQI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
3084463,1-hexadecanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O,QHZLMUACJMDIAE-SFHVURJKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
3084559,Heptacosan-14-ol,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O,XHGCEYVOGZHRLW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
3084569,Sambicyanin,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O.[Cl-],BWHXEGJOYVNGQH-XOBUMVIESA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
3084583,AC1MJ2U1,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OC4C3(COC5=C4C=CC(=C5)O)O)C,LPBAKOAUSJMTEN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
3084590,Otobanone,OtherMutliCpd,Compound,C[C@H]1[C@@H](C(=O)C2=C([C@@H]1C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5)C,ZTOORMQTJNUZOQ-DINDLPBHSA-N,Organic compounds,Lignans-- neolignans and related compounds,Aryltetralin lignans,none,Aryltetralin lignans,none,none,none,none,none,none
3084605,Natsudaidain,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O)OC,CCJBNIRSVUKABH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
3084961,Wogonoside,OtherMutliCpd,Compound,COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,LNOHXHDWGCMVCO-NTKSAMNMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
3084979,Momilactone B,OtherMutliCpd,Compound,C[C@]1(CC[C@@H]2C(=CC3[C@@H]4[C@]25CCC([C@@]4(C(=O)O3)C)(OC5)O)C1)C=C,SONPFFIKLYCKOY-WXVXRDCTSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
3085134,57818-39-0,OtherMutliCpd,Compound,CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)O)C,TUQVXFOSXOCQCM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Heterocyclic fatty acids,Furanoid fatty acids,none,none,none,none,none
3085143,AC1MJ3XZ,OtherMutliCpd,Compound,C[C@@]12CCC[C@@](C1CC[C@]34C2CC[C@](C3)(C(=C)C4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)(C)C(=O)O,DRSKVOAJKLUMCL-FIPBZOTESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,Steviol glycosides,none,none,none,none,none
3085191,60546-10-3,OtherMutliCpd,Compound,C[C@H]1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5[C@@H]([C@@]1(C)O)OC(=O)[C@]([C@H](CO4)C)(C)O)OC)OC)OC)OCO3,VLLFEMVDMFTBHG-SMWGPYIJSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
3085213,Eugenyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OC1=C(C=C(C=C1)CC=C)OC,PLUVLWUSXQCTNH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
3085216,Disialyllacto-N-tetraose,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)O)O)CO)CO)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O,FCIROHDMPFOSFG-LAVSNGQLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
3085241,62394-04-1,OtherMutliCpd,Compound,CC1CCC2([C@]3([C@@H]1O)C4(C5([C@](CC4(C2(CC5(O3)O)C)O)(C(C)C)O)C)O)O,TVHZPQAYPSOHQT-RTWQWHHJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
3085261,7-beta-D-Glucosyloxy-psi-baptigenine,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,GWACEFYEIOPAJV-MIUGBVLSSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
3085268,Rebaudioside C,OtherMutliCpd,Compound,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@]34CCC5[C@@]6(CCC[C@@](C6CC[C@]5(C3)CC4=C)(C)C(=O)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O,QSRAJVGDWKFOGU-RYUVMFHASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,Steviol glycosides,none,none,none,none,none
3085285,Juzirine,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)O)O,XUCRLUHFLBPVRO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
3085365,Vetivenol,OtherMutliCpd,Compound,C[C@@H]1CC(C=C([C@@]12CCC(=C(C)C)C2)C)O,XCEXBRKEGXBUJE-ATFAPYMMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3085404,Isomugineic acid,OtherMutliCpd,Compound,C1CN(C1C(=O)O)CC(C(C(=O)O)NCCC(C(=O)O)O)O,GJRGEVKCJPPZIT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
3085830,Isosilybin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,FDQAOULAVFHKBX-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Flavonolignans,none,Flavonolignans,none,none,none,none,none,none
3086224,beta-Furfuryl-beta-glucoside,OtherMutliCpd,Compound,C1=COC=C1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,SPFOGLIFWSAONR-KAMPLNKDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
3086257,Photofrin Porfimer sodium,Drug,Compound,CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C.[Na+],GPVSXPYOJDJYKH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
3086504,Galanal B,OtherMutliCpd,Compound,C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@H]3O)C=O)C=O)(C)C,UDKRLAJJSYRYRU-NIMBFUQJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
3086518,"Procyanidin B-5 3	3'-di-O-gallate",OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=C(C(=C21)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,LFBGVECYPPCVDS-QNPRKUGLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
3086646,Bullatalicinone,OtherMutliCpd,Compound,CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O)O,WAZNHZWSJGMXPS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Annonaceous acetogenins,none,none,none,none,none,none
3095106,3-O-Acetylepisamarcandin,OtherMutliCpd,Compound,CC(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C,RIPKCRCUFJSKKD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
3108117,Conferone,OtherMutliCpd,Compound,CC1=CCC2C(C(=O)CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C,VPAXJOUATWLOPR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
3246168,AC1MMXXN,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O,HXXFSFRBOHSIMQ-PQMKYFCFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
3246323,phosphothreonine,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,USRGIUJOYOXOQJ-GBXIJSLDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
3246938,L-Hexanoylcarnitine,OtherMutliCpd,Compound,CCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,VVPRQWTYSNDTEA-LLVKDONJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
3246945,DG(18:0/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,VYQDALBEQRZDPL-DHUJRADRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
3246949,DG(20:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,SCGCTMVKIGULND-KDXMTYKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
3246953,Tracylglycerol(50:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,DQKMNCLZNGAXNX-VCZQVZGSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
3247060,4-Hydroxycholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C,CZDKQKOAHAICSF-JSAMMMMSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
3255932,SODIUM METHACRYLATE,OtherMutliCpd,Compound,CC(=C)C(=O)[O-].[Na+],SONHXMAHPHADTF-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
3272925,timosaponin AIII,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1,MMTWXUQMLQGAPC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3286789,Leucopelargonidin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O,FSVMLWOLZHGCQX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Leucoanthocyanidins,none,none,none,none,none,none
3289209,Protaminase,OtherMutliCpd,Compound,CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O,TWURVFFNODFJBJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
3312783,AC1MO0QL,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C4=C(CCC3(C2C1)C)C5(CCC(C(C5CC4)(C)C)O)C)C)C)C,MCSMMGJCXCBSKD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,none,none,none,none,none,none
3321199,MK-53,OtherMutliCpd,Compound,CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C)O,LZKVXMYVBSNXER-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Quassinoids,none,none,none,none,none,none
3325403,L-Lysopine,OtherMutliCpd,Compound,CC(C(=O)O)NC(CCCCN)C(=O)O,ZZYYVZYAZCMNPG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
3332212,AC1MNRAL,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O,LYGRISUQIZNHGM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
3357644,AC1MNS3U,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O,LLENXGNWVNSBQG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
3364183,N-(3-methylbut-3-enyl)-7H-purin-6-amine,OtherMutliCpd,Compound,CC(=C)CCNC1=NC=NC2=C1NC=N2,BPRQFDNBWVMLPS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,6-alkylaminopurines,none,none,none,none,none
3375152,AC1MOUZC,OtherMutliCpd,Compound,C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N,HKBNQXMLSMKLJV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
3382778,thiamin phosphate,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-],HZSAJDVWZRBGIF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
3390254,AC1MPS5C,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1,ZNEIIZNXGCIAAL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3398121,139427-57-9,OtherMutliCpd,Compound,CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O,XWZCZWKUGIQPJD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,N-glucuronides,none,none,none
3400691,AC1MOUDN,OtherMutliCpd,Compound,CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC(=C(C=C5)O)S(=O)(=O)[O-],MNEJSIQJOSRAAA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylbenzamines,none,none,none,none,none,none
3437856,Capsicoside B2,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1,GUSVHVVOABZHAH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3438253,AC1MPNPR,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O,CAYUJEAJKPLCAV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3439408,Calenduloside A,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C,WIGHCPZBXOGLKE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3459141,3-methyl-9H-carbazol-2-ol,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C3=CC=CC=C3N2)O,ZLOJFAGTWDOURE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
3461265,Cartorimine,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C(C3C(=O)C=CC2(O3)CO)C(=O)O)O,IJGLRFRYPAUECC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrans,Pyranones and derivatives,Dihydropyranones,none,none,none,none,none,none
3462225,AC1MR46Q,OtherMutliCpd,Compound,C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5,VZTUKBKUWSHDFM-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
3474285,Sativoside R2,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1,QERHBVOJJKVACB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3481851,AC1MQSO2,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)C=O,ACXLVKYMISNUFD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
3482905,AC1MQV0G,OtherMutliCpd,Compound,COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC,IHPVFYLOGNNZLA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,5-O-methylated flavonoids,none,none,none,none,none,none
3482908,AC1MQV0P,OtherMutliCpd,Compound,CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO,UMVSOHBRAQTGQI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
3483754,AC1MQWZF,OtherMutliCpd,Compound,C1C(OC2=CC(=CC(=C2C1=O)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O,MFQIWHVVFBCURA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
3486665,2-(Ethoxymethyl)phenol,OtherMutliCpd,Compound,CCOCC1=CC=CC=C1O,GNNUWFUVNWRCEO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
3496496,AC1MRPAC,OtherMutliCpd,Compound,CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3,LMGZCSKYOKDBES-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Phthalide isoquinolines,none,Phthalide isoquinolines,none,none,none,none,none,none
3504625,AC1MQNLN,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C(=CC(=O)C2(C)O)C(C)C)OC,VMEKKHYIQYOLHA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3504626,AC1MQNLQ,OtherMutliCpd,Compound,CC1CC(CC(C12CCC(C2)C(=C)C)C=O)O,CEVNHRPKRNTGKO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
3505109,4-nitrocatechol,OtherMutliCpd,Compound,C1=CC(=C(C=C1[N+](=O)[O-])O)O,XJNPNXSISMKQEX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Nitrophenols,Nitrophenols,none,none,none,none,none,none
3509874,3-Epigibberellin A1,OtherMutliCpd,Compound,CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,JLJLRLWOEMWYQK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
3512634,AC1MR5CU,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O,VRTGGIJPIYOHGT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,Flavanonols,none,none,none,none,none
3512643,Agnuside,OtherMutliCpd,Compound,C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O,GLACGTLACKLUJX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Iridoid O-glycosides,none,none,none,none,none,none
3519901,MLS000863575,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)O)C,YHWNASRGLKJRJJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,6-prenylated flavans,6-prenylated flavanones,none,none,none,none,none
3530562,(S)-Actinidine,OtherMutliCpd,Compound,CC1CCC2=C(C=NC=C12)C,ZHQQRIUYLMXDPP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
3530565,(R)-Boschniakine,OtherMutliCpd,Compound,CC1CCC2=C1C=NC=C2C=O,OPRAONAUWNNOOV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyridine carboxaldehydes,Pyridine carboxaldehydes,none,none,none,none,none,none
3530567,Euglobal Ia1,OtherMutliCpd,Compound,CC(C)CC1C2CC(C=CC2(OC3=C(C(=C(C(=C13)O)C=O)O)C=O)C)C(C)C,GCAXPYWXIWWHHT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
3531157,"3-alpha	20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide",OtherMutliCpd,Compound,CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)O,ZFFFJLDTCLJDHL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
3536509,Acutoside B,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O,SNUYYOZIHXZPOM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3536737,AC1MSMLM,OtherMutliCpd,Compound,CC1CCC2=C(C=[N+](C=C12)CCC3=CC=C(C=C3)O)C,CKHCFVWFFIHGMT-UHFFFAOYSA-O,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
3542481,AC1MSZC9,OtherMutliCpd,Compound,C1C(C(C(C(O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O,XBGYTZHKGMCEGE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
3549397,L-beta-aspartyl-L-leucine,OtherMutliCpd,Compound,CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N,IYJILWQAFPUBHP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
3550102,AC1MRWY8,OtherMutliCpd,Compound,C1C(C(C(C(O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O,MMDUKUSNQNWVET-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
3553645,"3	4-PIPERIDINEDIOL	2-(HYDROXYMETHYL)-	(2S	3S	4S)-",OtherMutliCpd,Compound,C1CNC(C(C1O)O)CO,YZNNBIPIQWYLDM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
3556303,AC1MSAQL,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)C4C(C(C(C(O4)CO)O)O)O,DLVLXOYLQKCAME-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,none,none,none,none,none,none
3559400,AC1MSHK7,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC)C,ZHPYEBFYLDGZKF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
3559861,Curcumol,OtherMutliCpd,Compound,CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)C,QRMPRVXWPCLVNI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
3568969,AC1MT2OY,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O,PXUQTDZNOHRWLI-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
3578033,31704-80-0,OtherMutliCpd,Compound,CC1=CC=C(O1)C(C)CC=O,DFSVNSCDOZSUCT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
3580556,Isomultiflorenyl acetate,OtherMutliCpd,Compound,CC(=O)OC1CCC2(C(C1(C)C)CCC3=C2CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C,IQPSCJJRYFMIOC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
3584988,Angolensin,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)O)O,CCOJFDRSZSSKOG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Alpha-methyldeoxybenzoin flavonoids,none,Alpha-methyldeoxybenzoin flavonoids,none,none,none,none,none,none
3587049,Olitorin,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(C(O7)CO)O)O)O,KQBVSIZPUWODNU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3589471,CHEMBL1451483,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,ZEASWHWETFMWCV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
3624980,Avocadene 1-acetate,OtherMutliCpd,Compound,CC(=O)OCC(CC(CCCCCCCCCCCC=C)O)O,NLBYRERHXBTBBR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
3625612,Triheptadecanoin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,FBFWDBGUSMGXPI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
3631339,AC1MTVXL,OtherMutliCpd,Compound,CC1(C2CCC3(C(=CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C2(CCC1O)C)C)C,DPWVNICGMWYCAP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3648225,STK737742,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C=O)OC2C(C(C(C(O2)CO)O)O)O,LPRNQMUKVDHCFX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
3675988,2-(furan-2-yl)pyrrolidine,OtherMutliCpd,Compound,C1CC(NC1)C2=CC=CO2,LIFJPSLQRGQNMM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
3678270,artemin,OtherMutliCpd,Compound,CC1C2CCC3(C(CCC(=C)C3(C2OC1=O)O)O)C,CJLHTKGWEUGORV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
3693531,Feropolidin,OtherMutliCpd,Compound,CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C,MCTDXPDDZLFJHR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
3698770,AC1MWFOR,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C,FJGGNIPUSLFYJJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3703445,1-mercaptobutan-3-ol,OtherMutliCpd,Compound,CC(CCS)O,WHGYPRRJIBXGKB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
3703882,Dehydrodiferulic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)O)OC)C(=O)O2)O,DNJFYRXUTBVKIJ-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan lactones,none,Lignan lactones,none,none,none,none,none,none
3725594,AC1MV17C,OtherMutliCpd,Compound,CC1=CC(=O)C2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C,HIQLOIOGTRDMIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
3726592,N-Palmitoyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,YZWBXGMMZOEBAN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
3729509,Canesceol,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O,BUGNRCRUPAIYMD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3732009,SESARTEMIN-(+),OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC,DHWUVPPRBIJJKS-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
3733033,3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl hexopyranoside,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O,MGJLSBDCWOSMHL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
3734338,2-Ethylbenzenethiol,OtherMutliCpd,Compound,CCC1=CC=CC=C1S,ABROBCBIIWHVNS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Thiophenols,none,Thiophenols,none,none,none,none,none,none
3734964,Withaperuvin B,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)O)C)O)O)O)C,XLUKITCTLVOOAW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
3735942,Bipindogulomethyloside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C)O)O)O,WRORFDCUNLGVJF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3768984,1-furfurylpyrrolidine,OtherMutliCpd,Compound,C1CCN(C1)CC2=CC=CO2,OTCUCAGXTNHLEI-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
3778105,"3-(acetyloxy)-4	6a	6b	8a	11	12	14b-heptamethyl-1	2	3	4	4a	5	6	6a	6b	7	8	8a	9	10	11	12	12a	14	14a	14b-icosahydropicene-4-carboxylic acid",OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C,YJBVHJIKNLBFDX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3793749,SORBITAN MONOSTEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O,HVUMOYIDDBPOLL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
3794292,AC1MXQ07,OtherMutliCpd,Compound,C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O,DEMKZLAVQYISIA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
3800204,Protopanaxadiol,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C,PYXFVCFISTUSOO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3801879,AC1MWN2A,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O,FOSGZTYSSLMLOR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3804937,Neotam,OtherMutliCpd,Compound,CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC,HLIAVLHNDJUHFG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
3819217,489-53-2,OtherMutliCpd,Compound,CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C,LSZONYLDFHGRDP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
3825286,Sandoricin,OtherMutliCpd,Compound,CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)CC(=O)OC)C,FPZCLGWPFTXULY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
3826176,Melongoside H,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)OC1,DAIAMOGGSOXZSO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
3826359,Evobioside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)OC7C(C(C(C(O7)CO)O)O)O,OQZGLOBKVNEEPK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
3830888,MALVIN,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O,CILLXFBAACIQNS-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
3832176,AC1MYI2N,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C,LEQCLUFJRGKLOA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3836120,4beta-Hydroxywithanolide E,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C,UPBUGICUKQIKTJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
3838010,AC1MYUZY,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O,ZZTYPLSBNNGEIS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
3841360,GINSENOSIDE A1,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O,JBGYSAVRIDZNKA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3846150,Tragopogonsaponin A,OtherMutliCpd,Compound,CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C(=O)O)C,AJLARCXOASFHQQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
3905118,Contaminant 97,OtherMutliCpd,Compound,CC(N1C=C(C2=CC=CC=C21)CC(C(=O)O)N)N3C=C(C4=CC=CC=C43)CC(C(=O)O)N,DETVQFQGSVEQBH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
3914727,"2-amino-3	4-dihydroxybutanoic acid",OtherMutliCpd,Compound,C(C(C(C(=O)O)N)O)O,JBNUARFQOCGDRK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
3952079,AVOCADYNE ACETATE,OtherMutliCpd,Compound,CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O,JAKAZHIACKJNNB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
3977067,Leu-pro,OtherMutliCpd,Compound,CC(C)CC(C(=O)N1CCCC1C(=O)O)N,VTJUNIYRYIAIHF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
3978441,Dihydroclusin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)CC(CO)C(CC2=CC3=C(C=C2)OCO3)CO,FDHFWHRGVDRJIK-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,Dibenzylbutanediol lignans,Dibenzylbutanediol lignans,none,none,none,none,none,none
3984814,"2H-1-BENZOPYRAN-3	7-DIOL	2-(3	4-DIHYDROXYPHENYL)-3	4-DIHYDRO-",OtherMutliCpd,Compound,C1C(C(OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O)O,VFZYLYJWCROVLO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,none,none,none,none,none,none
3990655,Helianthoside B,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CC(C6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)O)O)OC1C(C(C(CO1)O)O)O,PLKRAHMPROXVOQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4023574,AC1N2L2L,OtherMutliCpd,Compound,C1C(C(OC2=C3C4C(C(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC=C(C=C6)O)O)C7=CC=C(C=C7)O)O,LQRHGTVFFPMWCG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
4039117,2alpha-Hydroxyalantolactone,OtherMutliCpd,Compound,CC1CC(CC2(C1=CC3C(C2)OC(=O)C3=C)C)O,FZSKLHDEGWSLTB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
4047281,Ethyl (4-methylphenoxy)acetate,OtherMutliCpd,Compound,CCOC(=O)COC1=CC=C(C=C1)C,UMNOIMVMNARUSB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
4063834,AC1N3FAC,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C,LWTDZKXXJRRKDG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4069131,Phe-Pro,OtherMutliCpd,Compound,C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)O,WEQJQNWXCSUVMA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
4072580,Isomahanimbine,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C=CC(O4)(C)CCC=C(C)C,YZBKHDJPIAYXQH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
4097385,Lycopersiconol,OtherMutliCpd,Compound,CC(=O)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O,FGDFFHLIMDMCJI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
4118145,"1	2	3-triheneicosanoyl-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,UTPJJAGAXCDLAG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
4122814,Sorbitan palmitate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O,IYFATESGLOUGBX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
4134690,"1	20-Eicosanediol",OtherMutliCpd,Compound,C(CCCCCCCCCCO)CCCCCCCCCO,PGMMMHFNKZSYEP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
4155678,AC1N4HQD,OtherMutliCpd,Compound,C1=CC=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O,LLEMMFPELBNINR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
4180364,"2	5-Dihydroxy-1	4-dioxane-2	5-dimethanol",OtherMutliCpd,Compound,C1C(OCC(O1)(CO)O)(CO)O,KEQUNHIAUQQPAC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dioxanes,1--4-dioxanes,1--4-dioxanes,none,none,none,none,none,none
4205159,Butyrospermone,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C,QQWIMVRGPKFDGM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
4220856,Galbanic acid,OtherMutliCpd,Compound,CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)O,CVWWNYPTZYQCSE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
4225619,Cholesteryl caprate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C,LJGMGXXCKVFFIS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
4254782,Corchorosol A,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O,KISYRRMFQYIIFQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
4262075,Cheirotoxol,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O,PHMHHZLBZSMXTG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
4263901,Isotheaflavin,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O,IPMYMEWFZKHGAX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
4285635,"22(S)	23(S)-Homobrassinolide",OtherMutliCpd,Compound,CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O,HJIKODJJEORHMZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Brassinolides and derivatives,none,none,none,none,none,none
4290702,Tripentadecanoin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,CLJLWABDLPQTHL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
4302177,"2-(2	3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3	4	5-triol",OtherMutliCpd,Compound,C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O,NHJUPBDCSOGIKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,Glycosylglycerols,none,none,none,none,none,none
4315287,AC1N89KK,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1,BQNMOLSYHYSCMS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
4316934,Calenduloside B,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C,NAIMCEFAGOEXSH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4320064,"3	5-Digalloylepicatechin",OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,RHDJFGKNTUPFEZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
4353789,Acutoside D,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O,GGJRZIMZYBAXEM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4369318,AC1N9ZWO,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C[NH3+])O,YYYJTUAEGPSBSQ-GZCAAYOFSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
4369584,PE(15:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,VNPKEVZXIMYUIM-JGCGQSQUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
4405844,F1507-0103,OtherMutliCpd,Compound,COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)CO)O)O)O,ONKIQNFPVXNOBV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
4433883,glycylleucylphenylalanine,OtherMutliCpd,Compound,CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CN,TVUWMSBGMVAHSJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
4451502,2-hydroxypropanedial,OtherMutliCpd,Compound,C(=O)C(C=O)O,NVXLIZQNSVLKPO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,none,none,none,none,none,none
4454759,"6-{[3	4	5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1	2	3	4	5-pentol",OtherMutliCpd,Compound,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,SERLAGPUMNYUCK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
4457968,Sodium decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)[O-].[Na+],FIWQZURFGYXCEO-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
4462283,HEXYL-beta-D-GLUCOPYRANOSIDE,OtherMutliCpd,Compound,CCCCCCOC1C(C(C(C(O1)CO)O)O)O,JVAZJLFFSJARQM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
4463283,AC1NB6L3,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O,NLAWPKPYBMEWIR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
4472903,AC1NBS9O,OtherMutliCpd,Compound,C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)O)O)O)O)O)C(=O)O)O)O,LCLHHZYHLXDRQG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
4473082,gamma-Hydroxyarginine,OtherMutliCpd,Compound,C(C(CN=C(N)N)O)C(C(=O)O)N,OPCBKDJCJYBGTQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
4474580,Nopalinic acid,OtherMutliCpd,Compound,C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN,UXZAXFPFSQRZOZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
4475100,Rac-Glyceollin I,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C,YIFYYPKWOQSCRI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4475719,AC1NAENR,OtherMutliCpd,Compound,C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)CO)O)O)O)O,NVLTYOJHPBMILU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
4475723,(R)-Vicianin,OtherMutliCpd,Compound,C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O,YYYCJNDALLBNEG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Cyanogenic glycosides,none,none,none,none,none
4478048,AC1NAJLZ,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)O)NO)O,CNIUEVQJABPUIJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
4478779,"Ne	Ne dimethyllysine",OtherMutliCpd,Compound,CN(C)CCCCC(C(=O)O)N,XXEWFEBMSGLYBY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
4479242,AC1NAMAQ,OtherMutliCpd,Compound,C1CC1(NC(=O)CCC(C(=O)O)N)O,OEEZRBUCLFMTLD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
4479246,(S)-Isowillardiine,OtherMutliCpd,Compound,C1=CNC(=O)N(C1=O)CC(C(=O)O)N,AZSWUZQIIMMKOZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
4480102,143557-93-1,OtherMutliCpd,Compound,CCC1(C(NC(=O)C(NC(=O)C(C(C2=CC(=C(C=C2S(=O)CC(CC(C(=O)O)N)O)O)O1)O)NC)C(C)C)C(=O)NCC(=O)O)C,QRLBQXQEGMBXFM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
4480653,AC1NAPJK,OtherMutliCpd,Compound,CC12C=CC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3,JEKMKNDURXDJAD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
4480711,AC1NAPOE,OtherMutliCpd,Compound,C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O,ATSKDYKYMQVTGH-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Betalains,Betacyanins and derivatives,Betacyanins and derivatives,none,none,none,none,none,none
4480714,AC1NAPON,OtherMutliCpd,Compound,C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O,XHJKHSXHWJCBLX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids,none,none,none,none,none,none
4480716,AC1NAPOT,OtherMutliCpd,Compound,C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O,DHHFDKNIEVKVKS-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Betalains,Betacyanins and derivatives,Betacyanins and derivatives,none,none,none,none,none,none
4481056,AC1NAQGY,OtherMutliCpd,Compound,C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)COS(=O)(=O)[O-])O)O)O)C(=O)O)C(=O)O)C(=O)O,OZXPZOHWSFDUDY-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Betalains,Betacyanins and derivatives,Betacyanins and derivatives,none,none,none,none,none,none
4481258,AC1NAQXJ,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O,CRPGUMMYQABYES-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Flavonolignans,none,Flavonolignans,none,none,none,none,none,none
4481259,AC1NAQXM,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O,RKWHWFONKJEUEF-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
4481457,AC1NARDM,OtherMutliCpd,Compound,C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O,RAHCBDLMLRVOBZ-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
4481462,beta-Elemolic acid,OtherMutliCpd,Compound,CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C,NBSBUIQBEPROBM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
4481465,AC1NARE4,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O,ZOEXTKFPTHFWDY-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
4481797,Silicristin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O,BMLIIPOXVWESJG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
4482008,AC1NASKY,OtherMutliCpd,Compound,C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)OC(=O)CC(=O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O,HOQNHEQPPFYHLF-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid 3-O-p-coumaroyl glycosides,none,none,none,none,none
4482275,AC1NAT5G,OtherMutliCpd,Compound,CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)C(CC4(C35C(O5)C(=O)OC4C6=COC=C6)C)O)C)C,OZGKITZRRFNYRV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Limonoids,none,none,none,none,none,none
4483033,AC1NAUT8,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1,NVCUAFIUMZCPGV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4483035,AC1NAUTE,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O,WUSQCDWYDVFLMN-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
4483037,AC1NAUTK,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6,XLHFBXMTUNORSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
4483038,AC1NAUTN,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(C(CC(C5)OC6C(C(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)OC1(CCC(=C)COC1C(C(C(C(O1)CO)O)O)O)O,FNDDEEUISKKDMU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4483040,AC1NAUTT,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1,OLAMGHNQGZIWHZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4483043,Timosaponin Bii,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O,SORUXVRKWOHYEO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4483248,Ophiopogonin C',OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1,HDXIQHTUNGFJIC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4483254,AC1NAVBB,OtherMutliCpd,Compound,CC12CCC(CC1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)(C)C(=O)O,FXYSHYMHTAACSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4483443,AC1NAVQN,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C,UZIOUZHBUYLDHW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
4483634,AC1NAW6K,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C,HIZNXZVTIKIPSM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4483635,netoginsenoside R1,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C,LLPWNQMSUYAGQI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
4483732,AC1NAWEB,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2C5C(C(C(C(O5)CO)O)O)O)CO)O,MNAYRSRTNMVAPR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
4483734,AC1NAWEH,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O,WMMOMSNMMDMSRB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
4484070,Glucoobtusifolin,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O,JMDQOFZFOJHOMU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
4484071,AC1NAX5N,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)OC)O,POMKXWCJRHNLRP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
4484219,(R)-Glabridin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C,LBQIJVLKGVZRIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
4484221,(R)-Hispaglabridin A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)O)C,HZHXMXSXYQCAIG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
4484222,1'-Acetoxyeugenol acetate,OtherMutliCpd,Compound,CC(=O)OC1=C(C=C(C=C1)C(C=C)OC(=O)C)OC,NKRBAUXTIWONOV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
4484393,AC1NAXVW,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)OC,YHSXPHNOIMTWTH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4484591,AC1NAYCE,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC=C)O)O)O)O)O)O,DAELTTGCCPRYTP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
4484949,Mucronulatol,OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O,NUNFZNIXYWTZMW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
4484952,Phaseollinisoflavan,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C,UUJBHSNXZMGYBT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
4484953,Pisatin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O,LZMRDTLRSDRUSU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4485132,AC1NAZKK,OtherMutliCpd,Compound,C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6,VGSYCWGXBYZLLE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4485133,8-Acetoxypinoresinol,OtherMutliCpd,Compound,CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC,NATDFORNCKZPCI-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
4485343,AC1NB01T,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO,JKCVMTYNARDGET-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,Dibenzylbutanediol lignans,Dibenzylbutanediol lignans,none,none,none,none,none,none
4486606,AC1NB2X2,OtherMutliCpd,Compound,CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C,KWRYHKRVKRBBBU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4486613,AC1NB2XN,OtherMutliCpd,Compound,C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O,LDPLFHGGZNSKDS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
4486828,AC1NB3FA,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O,OJVGWDJIYBTWDS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
4486984,AC1NB3S4,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)OC,WEKCEGQSIIQPAQ-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
4520077,N-Salicyloylaspartic acid,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)O)O,JMJWCANHASMNST-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
4524287,gamma-Glutamylleucine,OtherMutliCpd,Compound,CC(C)CC(C(=O)O)NC(=O)CCC(C(=O)O)N,MYFMARDICOWMQP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
4529149,5alpha-Tomatidan-3-one,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(=O)C6)C)C)C)NC1,VCYNHQOAZQMPOJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal alkaloids,Spirosolanes and derivatives,none,none,none,none,none,none
4555947,Acutoside G,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O,QWABEDSRNSIDQD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4564493,19322-27-1,OtherMutliCpd,Compound,CC1=C(C(=O)CO1)O,DLVYTANECMRFGX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
4575239,9-hydroxydecanoic acid,OtherMutliCpd,Compound,CC(CCCCCCCC(=O)O)O,UOQXHXSPGSKEGI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
4589033,"1	2-Didodecanoyl-3-tetradecanoyl-rac-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,SMUUMIRCIBXLGI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
4596190,Salicylic acid beta-D-glucoside,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O,TZPBMNKOLMSJPF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
4615423,p-Cresol sulfate,OtherMutliCpd,Compound,CC1=CC=C(C=C1)OS(=O)(=O)O,WGNAKZGUSRVWRH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
4625778,AC1NDH0I,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)O)NNC(=O)CCC(C(=O)O)N,GCENCHHONAGMNP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
4628122,AC1NDMB9,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(C(O2)CO)O)O)O,GDVRUDXLQBVIKP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
4629012,AC1NDOBA,OtherMutliCpd,Compound,C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O,QMXOFBXZEKTJIK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4632015,AC1NDUXK,OtherMutliCpd,Compound,CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O,VNCQCPQAMDQEBY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 6-carboxylic acids,none,none,none,none
4635867,AC1NE395,OtherMutliCpd,Compound,CCCCCC=CCC=CC=CC=CCC1C(O1)CCC(=O)O,ANXVUHHMAOYZPG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Heterocyclic fatty acids,Epoxy fatty acids,none,none,none,none,none
4635870,4-hydroxy-5-(hydroxymethyl)oxolan-2-one,OtherMutliCpd,Compound,C1C(C(OC1=O)CO)O,YIXDEYPPAGPYDP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
4638509,Alliospiroside C,OtherMutliCpd,Compound,CC1COC2(CC1O)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C,CEUOJNPNKKLCDB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4640119,AC1NECKG,OtherMutliCpd,Compound,CC1(C=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)C,DDJVLBCETGUEBO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
4641377,AC1NEFCR,OtherMutliCpd,Compound,C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O,CUZKLRTTYZOCSD-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
4656408,32449-99-3,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CC(=O)O)C(=O)O,VAFNMNRKDDAKRM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
4657307,Neotheaflavin 3-gallate,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O,KMJPKUVSXFVQGZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
4658943,Gibberellin A81,OtherMutliCpd,Compound,CC12CC(CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,BKBYHSYZKIAJDA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
4659569,Tolcapone,Drug,Compound,CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-],MIQPIUSUKVNLNT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzophenones,Benzophenones,none,none,none,none,none,none
4670742,Glyceryl trinonadecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,IZTDYXKTXNJHMQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
4682590,23550-40-5,OtherMutliCpd,Compound,CC(=O)CC(C)(C)SC,DHANVOSHQILVNQ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
4685450,"2	3-dihydro-1	4-benzodioxin-2-one",OtherMutliCpd,Compound,C1C(=O)OC2=CC=CC=C2O1,ULEKGOXADQVOIF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxanes,Benzo-1--4-dioxanes,Benzo-1--4-dioxanes,none,none,none,none,none,none
4715025,2-(furan-2-yl)piperidine,OtherMutliCpd,Compound,C1CCNC(C1)C2=CC=CO2,MIJFUNGHFNXZGN-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
4715419,2-(5-methylfuran-2-yl)pyrrolidine,OtherMutliCpd,Compound,CC1=CC=C(O1)C2CCCN2,LGGXPKQFJZIICN-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
4737557,2-pentanamidoacetic acid,OtherMutliCpd,Compound,CCCCC(=O)NCC(=O)O,NYZBWOSRZJKQAI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
4873003,Coroloside,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7C(C(C(C(O7)CO)O)O)O,BKLVUVLBSZAKIF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
4979342,AC1NLDUS,OtherMutliCpd,Compound,CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C,RJAKLUPHSBOQNU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Scalarane sesterterpenoids,none,none,none,none,none,none
4979347,Araliasaponin V,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C,MROYUZKXUGPCPD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
4979367,Alliofuroside A,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O,HWYCRLFVQVFKPD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
4999763,AC1NM8KF,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O,SLCKJKWFULXZBD-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
5036604,EUGENITOL,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C(=C(C=C2O1)O)C)O,HMAUJNAGOIPKDG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5070782,Phytolaccoside B,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC,SFZVDNKTWPZIJG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5080434,4-Deoxyphloridzin,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O,NLGUKXQDDTZCDG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5084146,Vanillyl butyl ether,OtherMutliCpd,Compound,CCCCOCC1=CC(=C(C=C1)O)OC,VLDFMKOUUQYFGF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5086400,Erythrabyssin II,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)O)C,LDKAMVCGTURXMH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5087640,AC1NOFZL,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O,PTDAHAWQAGSZDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
5087641,AC1NOFZO,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C,BQPYEFAVIPEQIK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
5088211,AC1NOH5T,OtherMutliCpd,Compound,CC1C(CC2(C(C1(CC(C3=COC=C3)O)C=O)CCC(C2(C)O)O)C)OC(=O)C,ZOWKQQIGQBVKSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Colensane and clerodane diterpenoids,none,none,none,none,none,none
5088389,"ent-7alpha	12beta-Dihydroxy-16-kauren-19	6beta-olide",OtherMutliCpd,Compound,CC12CCCC3(C1C(C(C45C2CC(C(C4)C(=C)C5)O)O)OC3=O)C,OSYJLXUUZYSFTC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
5088400,AC1NOHJX,OtherMutliCpd,Compound,CC1(CCCC2C1(CC(=O)C3=CC(CC(C23C)O)(C)C=C)O)C,BWRPYSJNBVBIRP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
5088573,No_auto_id,OtherMutliCpd,Compound,CC12CC(=O)C3=C(C1CCC45C2C(CC(C4)C(C5O)(COC6C(C(C(C(O6)CO)O)O)O)O)O)C=CO3,SJBDVPKAXKLGPV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
5088914,AC1NOIO3,OtherMutliCpd,Compound,C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O,WNBCMONIPIJTSB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Coumarin glycosides,Coumarin glycosides,none,none,none,none,none,none
5089686,AC1NOK9V,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=C(C(=C2C3C(C(OC4=C3C=CC(=C4)O)C5=CC(=C(C=C5)O)O)O)O)C6C(C(OC7=C6C=CC(=C7)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O,VYURQCQMACPHRC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5089687,Prodelphinidin B,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O,RTEDIEITOBJPNI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5091219,Corchoroside A,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O,QBILRDAMJUPXCX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
5101819,Yayoisaponin A,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)O)C)C)OC1,QBIKOFFLVHAXAD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
5104673,AC1NNZLG,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C,IUCHKMAZAWJNBJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
5104810,dl-Dihydrocallitrisin,OtherMutliCpd,Compound,CC1C2CC3C(=C)CCCC3(CC2OC1=O)C,YYJRTJYCOMIDIC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
5117820,AC1NOR8Z,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O)C,OFWYIUYVHYPQNX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5121218,2-amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid,OtherMutliCpd,Compound,CC(=CCSCC(C(=O)O)N)C,ULHWZNASVJIOEM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
5122061,AC1NP0M4,OtherMutliCpd,Compound,C(CC(=O)NC(CC(=O)O)C(=O)O)C(C(=O)O)N,JTJZAUVWVBUZAU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5131188,AC1NO2FW,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O)O,JWWFVRMFYKPZNE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Coumarin glycosides,Coumarin glycosides,none,none,none,none,none,none
5152597,ACMC-20lh8e,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,YUULFXAQUWEYNP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
5152866,Theasinensin B,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)O,CTVAVEOYQKVFFY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
5153580,"3	5	7-trihydroxy-2-(3	4	5-trihydroxyphenyl)-3	4-dihydro-2H-1-benzopyran-4-one",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O,KJXSIXMJHKAJOD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
5153644,AC1NP86J,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O,RATQVALKDAUZBW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
5153860,AC1NP8CF,OtherMutliCpd,Compound,C1CC(N(C1)NC(=O)CCC(C(=O)O)N)C(=O)O,KWWHDNLMGLRNRN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
5154674,L-gamma-glutamyl-L-alanine,OtherMutliCpd,Compound,CC(C(=O)O)NC(=O)CCC(C(=O)O)N,WQXXXVRAFAKQJM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5168698,AC1NQ2TK,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)C,JTWQQJDENGGSBJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
5176390,Vinaginsenoside R4,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C,UOJAEODBOCLNBU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5177836,AC1NPEPD,OtherMutliCpd,Compound,CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)OCC)OC,BWQJCLFQZFKWLE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
5184980,Blood Group H disaccharide,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2O)CO)O)O)O)O)O,VSRVRBXGIRFARR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
5187560,Furoeremophilone 1,OtherMutliCpd,Compound,CC1CCC(=O)C2C1(CC3=C(C2)OC=C3C)C,MHEQQQWHNMVBFL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
5199636,2-(2-CARBOXYACETAMIDO)-3-(1H-INDOL-3-YL)PROPANOIC ACID,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(=O)O,OVEAWSPZRGBTSS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
5200225,3-Aminopiperidin-2-one,OtherMutliCpd,Compound,C1CC(C(=O)NC1)N,YCCMTCQQDULIFE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
5226097,Pro-Phe,OtherMutliCpd,Compound,C1CC(NC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O,IWIANZLCJVYEFX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5253705,6917-69-7,OtherMutliCpd,Compound,CC12CCCC(C1C(C34C2CCC(C3)C(=C)C4)C=O)(C)C(=O)O,ZCTUNYRXJKLWPY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,none,none,none,none,none
5253706,No_auto_id,OtherMutliCpd,Compound,CC12CCCC(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O,CZEMYYICWZPENF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 6-carboxylic acids,none,none,none,none
5256173,Bauerenyl acetate,OtherMutliCpd,Compound,CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)OC(=O)C)(C)C)C)C,DTHUXXMWYWKQKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5257561,Desoxoglabrolide,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC6(CC5OC6=O)C)C)C)C)C,HHQJBWYXBWOFJY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5260103,AC1NR2JB,OtherMutliCpd,Compound,CC1C2C(CC1=O)C(=C)CCC3C2OC(=O)C3(CO)O,XJUFXNXZZRHROZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Guaianolides and derivatives,none,none,none,none,none
5270605,psi-Taraxasterol,OtherMutliCpd,Compound,C[C@H]1C2C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)(C)C)O)C,NGFFRJBGMSPDMS-VPUBHQHASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5271805,Ginkgetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O,AIFCFBUSLAEIBR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5273285,Resveratrol 3-O-Glucuronide,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,QWSAYEBSTMCFKY-OTPOQTMVSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
5273467,Isopentyl cinnamate,OtherMutliCpd,Compound,CC(C)CCOC(=O)/C=C/C1=CC=CC=C1,JFHCDEYLWGVZMX-CMDGGOBGSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5273621,Desmethoxyyangonin,OtherMutliCpd,Compound,COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2,DKKJNZYHGRUXBS-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
5273648,Ursadiol,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(CC[C@@]5([C@H](C[C@]43C)O)C)(C)C)C)(C)C)O,RTLXJEJRLWILSU-GWNGJUQLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5273650,Helianol,OtherMutliCpd,Compound,C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CCC(=C(C)C)[C@H]3CCCO)C)C)C,PDGUDHUKTNJAMM-CZJMLBNZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5273755,Eupatilin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC,DRRWBCNQOKKKOL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5275725,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one,OtherMutliCpd,Compound,CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,BCIWKKMTBRYQJU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerols,none,none,none,none,none,none
5275726,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one,OtherMutliCpd,Compound,CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,AIULWNKTYPZYAN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerols,none,none,none,none,none,none
5275727,AC1NQNFM,OtherMutliCpd,Compound,CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O,QYXKQNMJTHPKBP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiols,none,none,none,none,none,none
5276616,3-Methoxy-7-methyljuglone,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)O,KDBWUCIHUALFON-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
5276890,(+)-Gallocatechin gallate,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,WMBWREPUVVBILR-GHTZIAJQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
5280341,(+/-)-Dihydrofarnesol,OtherMutliCpd,Compound,CC(CC/C=C(\C)/CCC=C(C)C)CCO,OOOOFOPLSIWRAR-NTEUORMPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5280343,Quercetin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,REFJWTPEDVJJIY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5280344,coQH2,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CCC=C(C)C,RNUCUWWMTTWKAH-JLHYYAGUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Prenylated hydroquinones,Ubiquinols,none,none,none,none,none
5280355,Oleoyl coenzyme A,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,XDUHQPOXLUAVEE-ZXQNDDKTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
5280356,AC1NQWXT,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=CC=C4)O,JVNVHNHITFVWIX-WAFZYBDGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,2-enoyl CoAs,none,none,none,none,none
5280371,Bergaptol,OtherMutliCpd,Compound,C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O,GIJHDGJRTUSBJR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-hydroxypsoralens,none,none,none,none
5280372,Coniferin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,SFLMUHDGSQZDOW-FAOXUISGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
5280373,biochanin A,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O,WUADCCWRTIWANL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5280378,formononetin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O,HKQYGTCOTHHOMP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5280381,2-butenoyl-CoA,OtherMutliCpd,Compound,C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,KFWWCMJSYSSPSK-BOGFJHSMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,2-enoyl CoAs,none,none,none,none,none
5280382,11-cis-Retinol,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\CO)\C)/C,FPIPGXGPPPQFEQ-IOUUIBBYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
5280385,Sinapine,OtherMutliCpd,Compound,C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC,HUJXHFRXWWGYQH-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5280388,prostaglandin B1,OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O,YBHMPNRDOVPQIN-VSOYFRJCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5280393,4-Maleylacetoacetate,OtherMutliCpd,Compound,C(C(=O)CC(=O)O)C(=O)/C=C\C(=O)O,GACSIVHAIFQKTC-UPHRSURJSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
5280398,Fumarylacetoacetate,OtherMutliCpd,Compound,C(C(=O)CC(=O)O)C(=O)/C=C/C(=O)O,GACSIVHAIFQKTC-OWOJBTEDSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
5280406,1-O-Sinapoyl-beta-D-glucose,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,XRKBRPFTFKKHEF-DGDBGZAXSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Hydroxycinnamic acid glycosides,none,none,none,none,none
5280411,12-Oxo-pda,OtherMutliCpd,Compound,CC/C=C\C[C@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O,PMTMAFAPLCGXGK-JMTMCXQRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5280417,"3	7-Di-O-methylquercetin",OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O,LUJAXSNNYBCFEE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5280435,Phytol,OtherMutliCpd,Compound,C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C,BOTWFXYSPFMFNR-PYDDKJGSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
5280442,Acacetin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,DANYIYRPLHHOCZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
5280443,Apigenin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,KZNIFHPLKGYRTM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5280445,Luteolin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O,IQPNAANSBPBGFQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5280448,Calycosin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O,ZZAJQOPSWWVMBI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
5280450,linoleic acid,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,OYHQOLUKZRVURQ-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5280453,calcitriol,Drug,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,GMRQFYUYWCNGIN-NKMMMXOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5280457,Pinosylvin,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O,YCVPRTHEGLPYPB-VOTSOKGWSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5280459,quercitrin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O,OXGUCUVFOIWWQJ-HQBVPOQASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5280460,scopoletin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CC(=O)O2)O,RODXRVNMMDRFIK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5280483,Phylloquinone,Drug,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C,MBWXNTAXLNYFJB-LKUDQCMESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
5280490,11-cis-Retinal,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\C=O)\C)/C,NCYCYZXNIZJOKI-IOUUIBBYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
5280492,LEUKOTRIENE B4,OtherMutliCpd,Compound,CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O,VNYSSYRCGWBHLG-AMOLWHMGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5280493,leukotriene C4,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,GWNVDXQDILPJIG-NXOLIXFESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5280507,Sinapyl alcohol,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/CO,LZFOPEXOUVTGJS-ONEGZZNKSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5280511,(Z)-cinnamyl alcohol,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C\CO,OOCCDEMITAIZTP-DAXSKMNVSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
5280520,2'-Hydroxydaidzein,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O,ZCTNPCRBEWXCGP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5280523,(2S)-2-Isopropylmalate,OtherMutliCpd,Compound,CC(C)[C@@](CC(=O)O)(C(=O)O)O,BITYXLXUCSKTJS-ZETCQYMHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
5280533,2-Isopropylmaleate,OtherMutliCpd,Compound,CC(C)/C(=C/C(=O)O)/C(=O)O,NJMGRJLQRLFQQX-HYXAFXHYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
5280535,p-Coumaryl alcohol,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/CO)O,PTNLHDGQWUGONS-OWOJBTEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
5280536,Coniferyl aldehyde,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C=O)O,DKZBBWMURDFHNE-NSCUHMNNSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5280537,Moupinamide,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O,NPNNKDMSXVRADT-WEVVVXLNSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5280544,Herbacetin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O,ZDOTZEDNGNPOEW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5280551,Xenognosin B,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O,XKHHKXCBFHUOHM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5280559,N-Caffeoylputrescine,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)NCCCCN)O)O,KTZNZCYTXQYEHT-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
5280564,tiglyl-CoA,OtherMutliCpd,Compound,C/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,PMWATMXOQQZNBX-APMDNKNFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
5280578,"Trans-2	3-dehydrododecanoyl-CoA",OtherMutliCpd,Compound,CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,IRFYVBULXZMEDE-XCFIPPSPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
5280581,Dihomo-gamma-linolenic acid,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,HOBAELRKJCKHQD-QNEBEIHSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5280601,Luteolin 7-O-glucuronide,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O,VSUOKLTVXQRUSG-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
5280625,2-aminomuconic semialdehyde,OtherMutliCpd,Compound,C(=C\C=O)\C=C(/C(=O)O)\N,QCGTZPZKJPTAEP-REDYYMJGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
5280637,Luteolin-7-O-glucoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,PEFNSGRTCBGNAN-QNDFHXLGSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5280666,Chrysoeriol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,SCZVLDHREVKTSH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
5280691,p-Coumaroylagmatine,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCCCN=C(N)N)O,AKIHYQWCLCDMMI-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5280701,15-Kete,OtherMutliCpd,Compound,CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O,YGJTUEISKATQSM-USWFWKISSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5280711,PGEM,OtherMutliCpd,Compound,CCCCCC(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O,CUJMXIQZWPZMNQ-XYYGWQPLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5280720,13-Hpode,OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,JDSRHVWSAMTSSN-IRQZEAMPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5280733,5(S)-HETE,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O,KGIJOOYOSFUGPC-JGKLHWIESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,none,none,none,none,none,none
5280745,20-hydroxy LTB4,OtherMutliCpd,Compound,C(CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)CCO,PTJFJXLGRSTECQ-PSPARDEHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5280754,cyclosporin A,Drug,Compound,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,PMATZTZNYRCHOR-IMVLJIQESA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Peptoid-peptide hybrids,Cyclosporins,none,none,none,none,none,none
5280760,Dhhpba,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C)/C)/C)C,VEPICJBQCOUQPI-IRVXXIIISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,Polyprenylbenzene-1--2-diols,none,none,none,none,none,none
5280765,(2E)-Hexenoyl-CoA,OtherMutliCpd,Compound,CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,OINXHIBNZUUIMR-DOSZRKKKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
5280767,(2E)-Tetradecenoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MBCVYCOKMMMWLX-IKUURZALSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
5280768,(2E)-Decenoyl-CoA,OtherMutliCpd,Compound,CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MGNBGCRQQFMNBM-VHTAIFHGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
5280769,(2E)-Octenoyl-CoA,OtherMutliCpd,Compound,CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,CPSDNAXXKWVYIY-DPSCIZRPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
5280771,"cis	cis-3	6-Dodecadienoyl-CoA",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,KEPSPLQXVPROMK-GXFXHJQUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,3-enoyl CoAs,none,none,none,none,none
5280776,3-Hexaprenyl-4-hydroxy-5-methoxybenzoate,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)OC)O)/C)/C)/C)/C)/C)C,YSZSVGFMAJXGMQ-FRICUITQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,2-polyprenyl-6-methoxyphenols,none,none,none,none,none,none
5280778,5(S)-HPETE,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO,JNUUNUQHXIOFDA-JGKLHWIESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroperoxyeicosatetraenoic acids,none,none,none,none,none,none
5280793,ergocalciferol,Drug,Compound,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,MECHNRXZTMCUDQ-RKHKHRCZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5280794,STIGMASTEROL,OtherMutliCpd,Compound,CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,HCXVJBMSMIARIN-PHZDYDNGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5280796,"3a	7a-Dihydroxy-5b-cholest-24-enoyl-CoA",OtherMutliCpd,Compound,CC(CC/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C,SEBZZAWTQNNGPK-YOKOLYSVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
5280797,"3a	7a	12a-Trihydroxy-5b-cholest-24-enoyl-CoA",OtherMutliCpd,Compound,CC(CC/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CCC5C4([C@H](CC6C5[C@@H](C[C@H]7C6(CC[C@H](C7)O)C)O)O)C,QVDPWQVOSKJUES-WYOYJMLVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
5280802,Sinapaldehyde,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C=O,CDICDSOGTRCHMG-ONEGZZNKSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5280804,Isoquercitrin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,OVSQVDMCBVZWGM-QSOFNFLRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5280805,Rutin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,IKGXIBQEEMLURG-NVPNHPEKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5280818,L-Urobilin,OtherMutliCpd,Compound,CCC1C(C(=O)NC1CC2=N/C(=C/C3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C,TYOWQSLRVAUSMI-WKULSOCRSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
5280825,2-Hexaprenyl-6-methoxyphenol,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC=C1)OC)O)/C)/C)/C)/C)/C)C,WVPRAWNIVDFQBO-DUBIXASGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,2-polyprenyl-6-methoxyphenols,none,none,none,none,none,none
5280841,2-Coumarinate,OtherMutliCpd,Compound,C1=CC=C(C(=C1)/C=C\C(=O)O)O,PMOWTIHVNWZYFI-WAYWQWQTSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
5280845,Phylloquinone oxide,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C,KUTXFBIHPWIDJQ-LKUDQCMESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
5280863,Kaempferol,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,IYRMWMYZSQPJKC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5280876,12-Oxo-ltb4,OtherMutliCpd,Compound,CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@H](CCCC(=O)O)O,SJVWVCVZWMJXOK-NOJHDUNKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5280877,20-Carboxy-leukotriene B4,OtherMutliCpd,Compound,C(CCC(=O)O)C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O,SXWGPVJGNOLNHT-VFLUTPEKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5280885,delta-12-Prostaglandin J2,OtherMutliCpd,Compound,CCCCC[C@@H](C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O,TUXFWOHFPFBNEJ-GJGHEGAFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5280899,Zeaxanthin,OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C,JKQXZKUSFCKOGQ-QAYBQHTQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5280914,lipoxin A4,OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O,IXAQOQZEOGMIQS-SSQFXEBMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,Lipoxins,none,none,none,none,none
5280915,lipoxin B4,OtherMutliCpd,Compound,CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O)O,UXVRTOKOJOMENI-WLPVFMORSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,Lipoxins,none,none,none,none,none
5280933,gamma-Linolenic acid,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,VZCCETWTMQHEPK-QNEBEIHSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5280934,linolenic acid,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,DTOSIQBPPRVQHS-PDBXOOCHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5280938,LTF4,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N,PYSODLWHFWCFLV-VJBFNVCUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5280953,HARMINE,OtherMutliCpd,Compound,CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC,BXNJHAXVSOCGBA-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
5280960,naringenin chalcone,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O,YQHMWTPYORBCMF-ZZXKWVIFSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5280961,genistein,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O,TZBJGXHYKVUXJN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281004,budesonide,Drug,Compound,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C,VOVIALXJUBGFJZ-KWVAZRHASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5281006,cefprozil,Drug,Compound,C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O,WDLWHQDACQUCJR-ZAMMOSSLSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
5281034,oxymetholone,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C,ICMWWNHDUZJFDW-DHODBPELSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
5281037,Eprosartan,Drug,Compound,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O,OROAFUQRIXKEMV-LDADJPATSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
5281040,montelukast,Drug,Compound,CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O,UCHDWCPVSPXUMX-TZIWLTJVSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,none,Linear 1--3-diarylpropanoids,none,none,none,none,none,none
5281051,hypericin,OtherMutliCpd,Compound,CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O,BTXNYTINYBABQR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Pyrenes,Benzopyrenes,Benzopyrenes,none,none,none,none,none,none
5281071,Olopatadine,Drug,Compound,CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O,JBIMVDZLSHOPLA-LSCVHKIXSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxepines,Dibenzoxepines,Dibenzoxepines,none,none,none,none,none,none
5281081,ENTACAPONE,OtherMutliCpd,Compound,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N,JRURYQJSLYLRLN-BJMVGYQFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
5281104,Paricalcitol,Drug,Compound,C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C,BPKAHTKRCLCHEA-UBFJEZKGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5281107,Doxercalciferol,Drug,Compound,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,HKXBNHCUPKIYDM-CGMHZMFXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5281112,Isolliin,OtherMutliCpd,Compound,C/C=C/S(=O)C[C@@H](C(=O)O)N,OKYHUOHBRKWCQJ-FTJYXMLISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
5281113,CHEMBL566278,OtherMutliCpd,Compound,C1=CC(=CC=C1[C@H]2[C@@H](C3=C(O2)C=CC(=C3)/C=C/C(=O)NCCCCN=C(N)N)C(=O)NCCCCN=C(N)N)O,KVYNYRIOAYQBFK-ODMAYWLASA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5281114,AC1NQY1K,OtherMutliCpd,Compound,COC1=CC(=CC2=C1O[C@H]([C@@H]2C(=O)NCCCCN=C(N)N)C3=CC=C(C=C3)O)/C=C/C(=O)NCCCCN=C(N)N,LRLXAXGCQUOKIO-ATYLQFJESA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5281119,Myristoleic acid,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O,YWWVWXASSLXJHU-WAYWQWQTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5281120,Nervonic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O,GWHCXVQVJPWHRF-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5281126,Punicic acid,OtherMutliCpd,Compound,CCCC/C=C\C=C\C=C/CCCCCCCC(=O)O,CUXYLFPMQMFGPL-BGDVVUGTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5281147,Dehydrosafynol,OtherMutliCpd,Compound,C/C=C/C#CC#CC#CC#C[C@H](CO)O,CZFQZIRMRQWYEB-YWVDXFKGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
5281157,Avenanthramide A,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O,QGUMNWHANDITDB-FPYGCLRLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
5281166,Jasmonic acid,OtherMutliCpd,Compound,CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Jasmonic acids,none,none,none,none,none,none
5281167,(Z)-Hex-3-en-1-ol,OtherMutliCpd,Compound,CC/C=C\CCO,UFLHIIWVXFIJGU-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5281176,Betalamic acid,OtherMutliCpd,Compound,C\1[C@H](NC(=C/C1=C/C=O)C(=O)O)C(=O)O,YQDKULBMDMPFLH-FSRBREEPSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
5281185,Dopaxanthin,OtherMutliCpd,Compound,C1[C@H](N=C(C=C1/C=C/N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O)C(=O)O,HPGIHKRKXOXOJB-JXSWWZISSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
5281191,Humilixanthin,OtherMutliCpd,Compound,C1[C@@H](N=C(C=C1/C=C/N[C@@H](CCCO)C(=O)O)C(=O)O)C(=O)O,QOCJNRPNBHJDDW-NCDNIOQDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
5281222,butein,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O,AYMYWHCQALZEGT-ORCRQEGFSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5281241,Carthamone,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(C(=O)C(=O)C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,YQNGUUQYDSHYMO-MVAXXSNXSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
5281242,Lactucaxanthin,OtherMutliCpd,Compound,CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2C(C[C@H](C=C2C)O)(C)C)\C)\C)/C)/C)(C)C)O,BIPAHAFBQLWRMC-SUOWZELTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5281244,"Lutein 5	6-epoxide",OtherMutliCpd,Compound,CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C)(C)C)O,DYUUPIKEWLHQGQ-FJOIUHRLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5281247,Neoxanthin,OtherMutliCpd,Compound,C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C,PGYAYSRVSAJXTE-CLONMANBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5281252,Rubixanthin,OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C,ABTRFGSPYXCGMR-AXXBKCDFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5281254,Hispidol,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O,KEZLDSPIRVZOKZ-AUWJEWJLSA-N,Organic compounds,Phenylpropanoids and polyketides,Aurone flavonoids,none,Aurone flavonoids,none,none,none,none,none,none
5281292,Maritimetin,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O,PNIFOHGQPKXLJE-SDQBBNPISA-N,Organic compounds,Phenylpropanoids and polyketides,Aurone flavonoids,none,Aurone flavonoids,none,none,none,none,none,none
5281296,Xenognosin A,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)C/C=C/C2=CC=C(C=C2)O,LOHIEGDVOARVPJ-NSCUHMNNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Cinnamylphenols,Cinnamylphenols,none,none,none,none,none,none
5281297,Albafuran A,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C(C=C1C2=CC3=C(O2)C=C(C=C3)O)O)O)/C)C,KGOOVUKZICPAIZ-FRKPEAEDSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5281326,Isofucosterol,OtherMutliCpd,Compound,C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C,OSELKOCHBMDKEJ-WGMIZEQOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5281332,Mulberrofuran A,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C(C=C1C2=CC3=C(O2)C=C(C=C3)O)O)OC)/C)C,MQYYTNPXQXSQGM-CAOOACKPSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5281343,"5	7-Dihydroxychromone",OtherMutliCpd,Compound,C1=COC2=CC(=CC(=C2C1=O)O)O,NYCXYKOXLNBYID-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5281351,Aspidospermatine,OtherMutliCpd,Compound,C/C=C/1\[C@@H]2CCN3[C@H]1[C@@]4(CC3)[C@@H](C2)N(C5=C4C=CC=C5OC)C(=O)C,CCNTUVFHVFQEJI-ULBRXFQASA-N,Organic compounds,Alkaloids and derivatives,Strychnos alkaloids,none,Strychnos alkaloids,none,none,none,none,none,none
5281404,HARMANE,OtherMutliCpd,Compound,CC1=NC=CC2=C1NC3=CC=CC=C23,PSFDQSOCUJVVGF-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
5281416,Esculetin,OtherMutliCpd,Compound,C1=CC(=O)OC2=CC(=C(C=C21)O)O,ILEDWLMCKZNDJK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,6--7-dihydroxycoumarins,none,none,none,none,none,none
5281419,Mammeisin,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O,JIFOADIANOIMSK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
5281426,7-hydroxycoumarin,OtherMutliCpd,Compound,C1=CC(=CC2=C1C=CC(=O)O2)O,ORHBXUUXSCNDEV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5281428,Artemorin,OtherMutliCpd,Compound,C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](CC1)O)C(=C)C(=O)O2,JNHKVMWTQCZYHK-CVZWCJCVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
5281532,(Z)-.beta.-Santalol,OtherMutliCpd,Compound,C/C(=C/CCC1(C2CCC(C2)C1=C)C)/CO,OJYKYCDSGQGTRJ-WZUFQYTHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5281534,ALPHA-SINENSAL,OtherMutliCpd,Compound,C/C(=C\C/C=C(\C)/C=C)/CC/C=C(\C)/C=O,PFSTYGCNVAVZBK-JQGMZEBDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5281544,Oleuropein,OtherMutliCpd,Compound,C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O,RFWGABANNQMHMZ-ZCHJGGQASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Terpene glycosides,none,none,none,none,none,none
5281546,E-Phenylitaconyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C(=C/C4=CC=CC=C4)/CC(=O)O)O,CIZCKPNGZPENDV-IZNHDNMWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
5281565,Kawain,OtherMutliCpd,Compound,COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2,XEAQIWGXBXCYFX-GUOLPTJISA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
5281567,Methysticin,OtherMutliCpd,Compound,COC1=CC(=O)O[C@H](C1)/C=C/C2=CC3=C(C=C2)OCO3,GTEXBOVBADJOQH-FWEMWIAWSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
5281575,Yangonin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC,XLHIYUYCSMZCCC-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
5281576,ZEARALENONE,OtherMutliCpd,Compound,C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O,MBMQEIFVQACCCH-QBODLPLBSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,Zearalenones,Zearalenones,none,none,none,none,none,none
5281585,Ceanothine B,OtherMutliCpd,Compound,CC(C)[C@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C\C2=CC=C(O1)C=C2)CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C,IDZLSIWTJUALRQ-JKNOKTCPSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5281600,Amentoflavone,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O,YUSWMAULDXZHPY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5281601,5128-44-9,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O,LZERJKGWTQYMBB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5281605,Baicalein,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O,FXNFHKRTJBSTCS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281607,2-dihydroxyflavone,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,RTIXKCRFFJGDFG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281608,Chrysosplenetin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O,NBVTYGIYKCPHQN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5281611,"3	7	4'-Trihydroxyflavone",OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O,OBWHQJYOOCRPST-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281612,Diosmetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,MBNGWHIJMBWFHU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
5281614,Fisetin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O,XHEFDIBZLJXQHF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281616,Galangin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,VCCRNZQBSJXYJD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281617,Genkwanin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O,JPMYFOBNRRGFNO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5281618,Geraldone,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O,OUMMPAFEQHTYIZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
5281628,Hispidulin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O,IHFBPDAQLQOCBX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5281631,Euxanthone,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O,KDXFPEKLLFWHMN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5281633,Gartanin,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C(=C1O)CC=C(C)C)OC3=C(C=CC(=C3C2=O)O)O)O)C,OJXQLGQIDIPMTE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
5281635,Gentisein,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O,JJUNZBRHHGLJQW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5281636,Gentisin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O,XOXYHGOIRWABTC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5281640,Isogentisin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O,FVIYCYAHKMJVJK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5281641,1-Isomangostin,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1OC)O)OC3=CC(=C4CCC(OC4=C3C2=O)(C)C)O)C,JUHXHWKPHWGZKL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5281642,6-Hydroxyluteolin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O)O)O,VYAKIUWQLHRZGK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281643,Hyperoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O,OVSQVDMCBVZWGM-DTGCRPNFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5281650,alpha-Mangostin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)O)C,GNRIZKKCNOBBMO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5281654,Isorhamnetin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281666,Kaempferide,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,SQFSKOYWJBQGKQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281669,Luteolin 7-O-(6''-malonylglucoside),OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O,RNDGJCZQVKFBPI-ASDZUOGYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5281670,morin,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,YXOLAZRVSSWPPT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281671,Morusin,OtherMutliCpd,Compound,CC(=CCC1=C(OC2=C3C=CC(OC3=CC(=C2C1=O)O)(C)C)C4=C(C=C(C=C4)O)O)C,XFFOMNJIDRDDLQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
5281672,myricetin,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,IKMDFBPHZNJCSN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281674,Norwogonin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O,ZFKKRRMUPBBYRS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281678,Patuletin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O,JMIFIYIEXODVTO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281693,Robinin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O,PEFASEPMJYRQBW-HKWQTAEVSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5281697,Scutellarein,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O)O,JVXZRQGOGOXCEC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281700,Tambulin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O,KAPZSMYEZDLAFB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5281701,Tricetin,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,ARSRJFRKVXALTF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281703,Wogonin,OtherMutliCpd,Compound,COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O,XLTFNNCXVBYBSX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
5281704,Afromosin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O,KJGPBYUQZLUKLL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5281706,Cajanin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O,ALFNTRJPGFNJQV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
5281707,COUMESTROL,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O,ZZIALNLLNHEQPJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5281708,daidzein,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281712,Astringin,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,PERPNFLGJXUDDW-CUYWLFDKSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
5281715,3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1/C=C/C2=CC=CC=C2)C(=O)O)O)OC)C,DFMCTODOEICLEB-ZRDIBKRKSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5281718,Polydatin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,HSTZMXCBWJGKHG-CUYWLFDKSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
5281724,4'-Prenyloxyresveratrol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C=C1O)/C=C/C2=C(C=C(C=C2)O)O)O)C,FEHGVKWVMWWVQZ-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5281725,4-Prenylresveratrol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC=C(C=C2)O)O)C,WWFOQQIWOKJBSJ-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5281727,Pterostilbene,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC,VLEUZFDZJKSGMX-ONEGZZNKSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5281769,Cynarin,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O,YDDUMTOHNYZQPO-RVXRWRFUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
5281775,Gingerenone A,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)OC)O,FWDXZNKYDTXGOT-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5281779,Irilone,OtherMutliCpd,Compound,C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O,NUGRQNBDTZWXTP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281780,"3	4-Dicaffeoylquinic acid",OtherMutliCpd,Compound,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O,UFCLZKMFXSILNL-PSEXTPKNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
5281781,Irisolidone,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O,VOOFPOMXNLNEOF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5281783,24393-56-4,OtherMutliCpd,Compound,CCOC(=O)/C=C/C1=CC=C(C=C1)OC,DHNGCHLFKUPGPX-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5281789,Licoisoflavone A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C,KCUZCRLRQVRBBV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281790,Prenyl caffeate,OtherMutliCpd,Compound,CC(=CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O)C,TTYOHMFLCXENHR-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5281792,rosmarinic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,DOUMFZQKYFQNTF-WUTVXBCWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5281794,Shogaol,OtherMutliCpd,Compound,CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,OQWKEEOHDMUXEO-BQYQJAHWSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Shogaols,none,none,none,none,none,none
5281796,Feruloylputrescine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCN)O,SFUVCMKSYKHYLD-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
5281797,Luteone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)O)C,MMPVAPMCVABQPS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
5281801,Orobol,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O,IOYHCQBYQJQBSK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281803,Pratensein,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O,FPIOBTBNRZPWJW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
5281804,Prunetin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O,KQMVAGISDHMXJJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
5281805,Pseudobaptigenin,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O,KNJNBKINYHZUGC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281806,Psoralidin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O)C,YABIJLLNNFURIJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5281807,Puerarin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,HKEAFJYKMMKDOR-VPRICQMDSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid C-glycosides,Isoflavonoid C-glycosides,none,none,none,none,none,none
5281809,Sojagol,OtherMutliCpd,Compound,CC1(CCC2=C(O1)C=CC3=C2OC4=C3C(=O)OC5=C4C=CC(=C5)O)C,GSAVLDZAGYKJSO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5281810,Tectoridin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,CNOURESJATUGPN-UDEBZQQRSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
5281811,Tectorigenin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O,OBBCRPUNCUPUOS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5281818,Casimiroedine,OtherMutliCpd,Compound,CN(CCC1=CN(C=N1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)/C=C/C3=CC=CC=C3,CSFQQZOIHVWGMN-BBAXEOEJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
5281832,Arborinine,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O,ATBZZQPALSPNMF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5281838,Buntanine,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)O)C,XUUGIWDILRFFER-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5281842,Furofoline I,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CO4)O,ZFFUGPKCSIVPEI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5281849,Rutacridone,OtherMutliCpd,Compound,CC(=C)C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C,FHAGACMCMQYSNX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5281850,Rutacridone epoxide,OtherMutliCpd,Compound,CC1(CO1)C2CC3=C4C(=C(C=C3O2)O)C(=O)C5=CC=CC=C5N4C,YXQGLAPCZDYVLL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5281855,ellagic acid,OtherMutliCpd,Compound,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,AFSDNFLWKVMVRB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5281859,5-(Heptadec-12-enyl)resorcinol,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCCCCCC1=CC(=CC(=C1)O)O,KDUIMXINOLVPCT-WAYWQWQTSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
5281894,7-hydroxyflavone,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O,MQGPSCMMNJKMHQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5281895,CHEBI:792,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O,VRMSCBRLZUCJBX-QXYWQCSFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
5281946,3-Methylgalangin,OtherMutliCpd,Compound,COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3,LYISDADPVOHJBJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3-O-methylated flavonoids,none,none,none,none,none,none
5281954,Tectochrysin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O,IRZVHDLBAYNPCT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5281969,Anandamide,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO,LGEQQWMQCRIYKG-DOFZRALJSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5282073,"7	4'-Dihydroxyflavone",OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O,LCAWNFIFMLXZPQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5282074,2'-Hydroxygenistein,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O,GSSOWCUOWLMMRJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5282102,Astragalin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,JPUKWEQWGBDDQB-QSOFNFLRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5282146,"2	3-Dihydroxycinnamic acid",OtherMutliCpd,Compound,C1=CC(=C(C(=C1)O)O)/C=C/C(=O)O,SIUKXCMDYPYCLH-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
5282148,Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside),OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O,VRCBYTZZZFFKEN-RBZNUJCTSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
5282155,Sophoraflavonoloside,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,LKZDFKLGDGSGEO-UJECXLDQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5282159,Quercetin 3-O-malonylglucoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O,NBQPHANHNTWDML-UJKBSQBPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5282160,Quercimeritrin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O,BBFYUPYFXSSMNV-HMGRVEAOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5282166,Baimaside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,RDUAJIJVNHKTQC-UJECXLDQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5282226,Travoprost,Drug,Compound,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O,MKPLKVHSHYCHOC-AHTXBMBWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5282253,domoic acid,OtherMutliCpd,Compound,C[C@H](/C=C/C=C(/C)\[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O,VZFRNCSOCOPNDB-AOKDLOFSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Kainoids,none,none,none,none,none
5282272,HGLEA,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO,ULQWKETUACYZLI-QNEBEIHSSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5282273,Adrenoyl-ethanolamine,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO,FMVHVRYFQIXOAF-DOFZRALJSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5282280,2-arachidonoylglycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO,RCRCTBLIHCHWDZ-DOFZRALJSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
5282283,1-Palmitoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,YEJYLHKQOBOSCP-OZKTZCCCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
5282310,C14 Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O,ZKRPGPZHULJLKJ-JHRQRACZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5282347,alpha-Tocotrienol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O,RZFHLOLGZPDCHJ-XZXLULOTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
5282349,gamma-Tocotrienol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O,OTXNTMVVOOBZCV-WAZJVIJMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
5282367,menatetrenone,OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,DKHGMERMDICWDU-GHDNBGIDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,Menaquinones,none,none,none,none,none
5282451,Pitavastatin calcium,Drug,Compound,C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2],RHGYHLPFVJEAOC-FFNUKLMVSA-L,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Phenylquinolines,Phenylquinolines,none,none,none,none,none,none
5282457,Linoelaidic acid,OtherMutliCpd,Compound,CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,OYHQOLUKZRVURQ-AVQMFFATSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5282601,16-methyloctadecanoic acid,OtherMutliCpd,Compound,CCC(C)CCCCCCCCCCCCCCC(=O)O,PCGKIWPTIJPQHI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282718,(Z)-oct-5-enoic acid,OtherMutliCpd,Compound,CC/C=C\CCCC(=O)O,RRGOKSYVAZDNKR-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5282740,5-tetradecenoic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C/CCCC(=O)O,AFGUVBVUFZMJMX-MDZDMXLPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282744,7-palmitoleic acid,OtherMutliCpd,Compound,CCCCCCCCC/C=C/CCCCC(=O)O,NNNVXFKZMRGJPM-ZHACJKMWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282745,PALMITELAIDIC ACID,OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCC(=O)O,SECPZKHBENQXJG-BQYQJAHWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282757,cis-8-Octadecenoic acid,OtherMutliCpd,Compound,CCCCCCCCC/C=C\CCCCCCC(=O)O,WRIDQFICGBMAFQ-KHPPLWFESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282761,cis-vaccenic acid,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O,UWHZIFQPPBDJPM-FPLPWBNLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282768,cis-11-eicosenoic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O,BITHHVVYSMSWAG-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282769,trans-11-eicosenoic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C/CCCCCCCCCC(=O)O,BITHHVVYSMSWAG-MDZDMXLPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282771,Cetoleic acid,OtherMutliCpd,Compound,CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O,KJDZDTDNIULJBE-QXMHVHEDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5282818,Calendic acid,OtherMutliCpd,Compound,CCCCC/C=C\C=C\C=C\CCCCCCC(=O)O,DQGMPXYVZZCNDQ-KBPWROHVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5282822,Elaidolinoleic acid,OtherMutliCpd,Compound,CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,DTOSIQBPPRVQHS-IUQGRGSQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5282938,Phloionolic acid,OtherMutliCpd,Compound,C(CCCCO)CCCC(C(CCCCCCCC(=O)O)O)O,OISFHODBOQNZAG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282958,"9	10-dihydroxy-12-octadecenoic acid",OtherMutliCpd,Compound,CCCCC/C=C/CC(C(CCCCCCCC(=O)O)O)O,XEBKSQSGNGRGDW-JXMROGBWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282966,"9	12	13-Trihydroxy-10-octadecenoic acid",OtherMutliCpd,Compound,CCCCCC(C(/C=C/C(CCCCCCCC(=O)O)O)O)O,MDIUMSLCYIJBQC-BUHFOSPRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5282982,3-oxodecanoic acid,OtherMutliCpd,Compound,CCCCCCCC(=O)CC(=O)O,YXTHWTPUTHTODU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
5282997,3-oxohexadecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CC(=O)O,ASICPMTWQSESKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283001,8-keto palmitic acid,OtherMutliCpd,Compound,CCCCCCCCC(=O)CCCCCCC(=O)O,SEWAOKNHYLYQEL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283002,9-keto palmitic acid,OtherMutliCpd,Compound,CCCCCCCC(=O)CCCCCCCC(=O)O,KHCDPAZLBSPVSE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283003,11-keto palmitic acid,OtherMutliCpd,Compound,CCCCCC(=O)CCCCCCCCCC(=O)O,ANQQVTWQIBPDKQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283005,3-keto stearic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)CC(=O)O,YQGGUZWHNVQJMF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283042,"15-Keto-13	14-dihydroprostaglandin A2",OtherMutliCpd,Compound,CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O,FMKLAIBZMCURLI-BFVRRIQPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5283122,"12-keto-10	11	14	15-tetrahydro-LTB4",OtherMutliCpd,Compound,CCCCCCCCC(=O)CC/C=C/C=C\[C@H](CCCC(=O)O)O,RRTYEHFGQWNQKK-KIQAWMAPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Other hydroxyeicosapolyenoic acids,none,none,none,none,none,none
5283125,leukotriene B5,OtherMutliCpd,Compound,CC/C=C\C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O,BISQPGCQOHLHQK-HDNPQISLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosapentaenoic acids,none,none,none,none,none,none
5283127,LTB4 ethanol amide,OtherMutliCpd,Compound,CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)NCCO)O)O,DQLVVNIINUTUIU-XLFGVTECSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5283128,6-trans-Leukotriene B4,OtherMutliCpd,Compound,CCCCC/C=C\C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O,VNYSSYRCGWBHLG-UKNWISKWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5283129,6-trans-12-epi-Leukotriene B4,OtherMutliCpd,Compound,CCCCC/C=C\C[C@@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O,VNYSSYRCGWBHLG-CTOJTRLNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5283130,12-epi-LTB4,OtherMutliCpd,Compound,CCCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O,VNYSSYRCGWBHLG-CBBLYLIKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
5283134,11-trans-Leukotriene C4,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,GWNVDXQDILPJIG-CCHJCNDSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5283142,"5	6-DHET",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CC(C(CCCC(=O)O)O)O,GFNYAPAJUNPMGH-QNEBEIHSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283144,"8	9-DHET",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CC(C(C/C=C\CCCC(=O)O)O)O,DCJBINATHQHPKO-TYAUOURKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283145,15S-HETrE,OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C=C\C/C=C\CCCCCCC(=O)O)O,IUKXMNDGTWTNTP-OAHXIXLCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283146,"11	12-DiHETrE",OtherMutliCpd,Compound,CCCCC/C=C\CC(C(C/C=C\C/C=C\CCCC(=O)O)O)O,LRPPQRCHCPFBPE-KROJNAHFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283147,"14	15-DHET",OtherMutliCpd,Compound,CCCCCC(C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O,SYAWGTIVOGUZMM-ILYOTBPNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283157,20-Hete,OtherMutliCpd,Compound,C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCO,NNDIXBJHNLFJJP-DTLRTWKJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283158,"5(S)	15(S)-diHETE",OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O)O,UXGXCGPWGSUMNI-BVHTXILBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,none,none,none,none,none,none
5283159,5-Oxo-ETE,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O,MEASLHGILYBXFO-XTDASVJISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283162,12-oxo-ETE,OtherMutliCpd,Compound,CCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)O,GURBRQGDZZKITB-VXBMJZGYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5283171,5-Hpete,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)O)OO,JNUUNUQHXIOFDA-XTDASVJISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroperoxyeicosatetraenoic acids,none,none,none,none,none,none
5283208,Trioxilin A3,OtherMutliCpd,Compound,CCCCC/C=C\C[C@@H]([C@@H](/C=C/C(C/C=C\CCCC(=O)O)O)O)O,WPLPEZUSILBTGP-CIQDQOFUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283210,Troxilin B3,OtherMutliCpd,Compound,CCCCC/C=C\C[C@H]([C@@H](C(/C=C\C/C=C\CCCC(=O)O)O)O)O,GOHNIXDAQODZKP-OZPSOFALSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
5283266,Persin,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(COC(=O)C)O,IBDVBNUJEGRVQN-NQLNTKRDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
5283308,4-Hexenal,OtherMutliCpd,Compound,C/C=C/CCC=O,DPCMFIRORYQTCL-NSCUHMNNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5283325,3-octenal,OtherMutliCpd,Compound,CCCC/C=C/CC=O,WDWAUVJQFVTKEW-AATRIKPKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5283327,5-octenal,OtherMutliCpd,Compound,CC/C=C/CCCC=O,ZUSUVEKHEZURSD-ONEGZZNKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5283337,4-nonenal,OtherMutliCpd,Compound,CCCC/C=C/CCC=O,QPULDJYQYDGZEI-AATRIKPKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5283389,N-arachidonylglycine,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O,YLEARPUNMCCKMP-DOFZRALJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
5283446,Linoleamide MEA,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,KQXDGUVSAAQARU-HZJYTTRNSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5283449,Alpha-Linolenoyl ethanolamide,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCO,HBJXRRXWHSHZPU-PDBXOOCHSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5283450,Eicosapentaenoyl Ethanolamide,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO,OVKKNJPJQKTXIT-JLNKQSITSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5283451,Synaptamide,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO,GEEHOLRSGZPBSM-KUBAVDMBSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5283454,n-oleoylethanolamine,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,BOWVQLFMWHZBEF-KTKRTIGZSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
5283471,1-oleoyl-2-palmitoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,DOZKMFVMCATMEH-OZKTZCCCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
5283547,Farnoquinone,OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,PFRQBZFETXBLTP-RCIYGOBDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,none,none,none,none,none,none
5283562,Laurylsphingosine,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O,HXFPPRPLRSPNIB-VARSQMIESA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283563,N-(oleoyl)-ceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O,OBFSLMQLPNKVRW-RHPAUOISSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283564,N-Palmitoylsphingosine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,YDNKGFDKKRUKPY-TURZORIXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283565,N-Stearoylsphingosine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,VODZWWMEJITOND-NXCSZAMKSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283566,N-icosanoylsphingosine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,XWBWIAOWSABHFI-NUKVNZTCSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283567,C22 Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,KEPQASGDXIEOIL-GLQCRSEXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283568,C24:1 Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,VJSBNBBOSZJDKB-KPEYJIHVSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283570,C26 Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,CJROVRTUSFQVMR-GVOPMEMSSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283571,C24 Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,ZJVVOYPTFQEGPH-AUTSUKAISA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283572,C16 Sphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O,GCGTXOVNNFGTPQ-JHOUSYSJSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283573,Dihydroceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,KZTJQXAANJHSCE-OIDHKYIRSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283574,C20 Dihydroceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,ZWAUSWHRQBSECP-PQQNNWGCSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5283575,C22 Dihydroceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,SXPRAKSDHOEHIG-ZESVVUHVSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283576,N-(15Z-tetracosenoyl)-sphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,YUULKFVZRXQHPM-ATHUGRIKSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283577,N-(tetracosanoyl)-sphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,BPLYVSYSBPLDOA-WVILEFPPSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283578,C26:1DH Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O,CTSPXOBSUIWAAB-SNMLQRCYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5283580,N-lauroyl-ceramide-1-phosphate,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O,KXEMZGPJXBKYJP-VARSQMIESA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283581,CerP(d18:1/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,UNRULDRRONAKLU-TURZORIXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283582,C16DH CerP,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC)O,ILHPMPAVRAZOJB-JHOUSYSJSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283583,CerP(d18:1/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,ZQQLMECVOXKFJK-NXCSZAMKSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283584,CerP(d18:1/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,QDXTYNOQCQVNET-NUKVNZTCSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283585,CerP(d18:1/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,ZRTZYMMYLZPKEQ-GLQCRSEXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283586,C24:1 CerP,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,RURFWJXZZZCIOZ-KPEYJIHVSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283587,CerP(d18:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,SEEJZRCEDNOVGA-AUTSUKAISA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283588,Sphingomyelin (d18:1/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,LKQLRGMMMAHREN-YJFXYUILSA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283590,Sphingomyelin (d18:1/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,RWKUXQNLWDTSLO-GWQJGLRPSA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283591,Sphingomyelin (d18:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC)O,QHZIGNLCLJPLCU-QPPIDDCLSA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283595,Sphingomyelin (d18:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,QEDPUVGSSDPBMD-XTAIVQBESA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283597,Sphingomyelin (d18:1/26:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,VRAWSAPVSSLIRI-MVUJCARGSA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
5283632,Cholesteryl oleate,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,RJECHNNFRHZQKU-RMUVNZEASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
5283637,"22	23-Dihydrobrassicasterol",OtherMutliCpd,Compound,C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,SGNBVLSWZMBQTH-ZRUUVFCLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
5283640,24-Methylenelophenol,OtherMutliCpd,Compound,C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C)O,RSMKYRDCCSNYFM-AAGDOFLISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
5283660,Crinosterol,OtherMutliCpd,Compound,C[C@H](/C=C/[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,OILXMJHPFNGGTO-SDMVIZLASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
5283665,Doristerol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O,ONYPIMNXSARKFQ-NFTYELEKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
5283713,tachysterol3,OtherMutliCpd,Compound,CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C,YUGCAAVRZWBXEQ-FMCTZRJNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5283731,Calcifediol,OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,JWUBBDSIWDLEOM-DTOXIADCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5283812,12beta-Hydroxy-5beta-cholan-24-oic Acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)O)C,OBUOWZOYJNAMCZ-ORVKXXEISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283821,Murideoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,DGABKXLVXPYZII-PLYQRAMGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283822,Isohyodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C,DGABKXLVXPYZII-MMTMODRTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283831,Lagodeoxycholic,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,KXGVEGMKQFWNSR-MFSKYVBHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283832,"3b	12b-Dihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C,KXGVEGMKQFWNSR-BYGCHKRWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283835,"3b	12a-Dihydroxy-5a-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C,KXGVEGMKQFWNSR-UPSXFCICSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283838,"7alpha	12beta-Dihydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C,ZHCAAZIHTDCFJX-CIKBIKKZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283839,"7b	12a-Dihydroxycholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C,ZHCAAZIHTDCFJX-BJMHMCHXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283846,"1b	3a	7a-Trihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)C,GYUVAHWOVINGNE-RWXZXXAWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283847,"2b	3a	7a-Trihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C[C@@H]([C@H](C4)O)O)C)O)C,NVTDAUYTNRUBQY-QCICEKRZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283851,omega-muricholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,DKPMWHFRUGMUKF-NTPBNISXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283853,beta-muricholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,DKPMWHFRUGMUKF-CRKPLTDNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283869,Lagocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-KRHHAYMPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283870,3-Epicholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-UXWVVXDJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283872,"3alpha	7beta	12beta-Trihydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-BJOVICNYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283873,"3b	7b	12a-Trihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-NSYKHXCCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283875,"3b	7a	12a-Trihydroxy-5a-Cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-OJGXVJBCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283877,"3a	7b	12a-Trihydroxy-5a-Cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-PWNRUWOFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283879,"3b	7b	12a-Trihydroxy-5a-Cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-UEXPSFCYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283893,1b-Hydroxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)O)C,UYVVLXVBEQAATF-WAIVXGPNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283895,"3a	4b	7a	12a-Tetrahydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H]([C@@H]4O)O)C)O)O)C,WGGZRKVUOFMQHM-HPJHAEAHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283896,"3beta	4beta	7alpha	12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)O)C,WGGZRKVUOFMQHM-VCELIZGUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283899,"3alpha	6beta	7alpha	12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)O)C,COCMFMBNEAMQMA-VGKGADPCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283900,"3alpha	6beta	7beta	12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)O)C,COCMFMBNEAMQMA-KREOYVNCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283902,"3alpha	6beta	7beta	12beta-Tetrahydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)O)C,COCMFMBNEAMQMA-XEGXWRQYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283905,"3alpha	7alpha	12alpha	19-Tetrahydroxy-5beta-cholan-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)CO)O)O)C,RFSKRKUKTCLIAV-OWXKUJNZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5283992,"3-Oxochola-4	6-dien-24-oic Acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C,CREVIXFSUWYGRJ-IHMUCKAYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Bile acids-- alcohols and derivatives,none,none,none,none,none,none
5283996,"7alpha	12alpha-Dihydroxy-3-oxochol-4-enoate",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C,ZZUMXQCSMJCDDC-DFQOQHGMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5284194,"5beta-Cholestane-3alpha	7alpha	12alpha	25	26-pentol",OtherMutliCpd,Compound,C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,XZDHXPDYLPEFQI-FIMPYCPFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5284208,"5b-Cholestane-3a	7a	12a	23-Tetrol",OtherMutliCpd,Compound,C[C@H](CC(CC(C)C)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,VGCSSPQIZFVVCH-UVBCEDGCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
5284351,Indigo carmine,OtherMutliCpd,Compound,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)/C(=C\3/C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])/N2.[Na+].[Na+],KHLVKKOJDHCJMG-QDBORUFSSA-L,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
5284386,"5	6-Dimethoxysterigmatocystin",OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC,RSPJLZQIZABVSE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
5284396,Ferric citrate tetrahydrate,OtherMutliCpd,Compound,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],VTIIZUHZMUVVCB-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
5284457,10048-13-2,OtherMutliCpd,Compound,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,UTSVPXMQSFGQTM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
5284474,Trp-P-1,OtherMutliCpd,Compound,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N,LVTKHGUGBGNBPL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Gamma carbolines,none,none,none,none,none,none
5284476,Trp-P-2,OtherMutliCpd,Compound,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N,LKKMLIBUAXYLOY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Gamma carbolines,none,none,none,none,none,none
5284513,Acitretin,Drug,Compound,CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC,IHUNBGSDBOWDMA-AQFIFDHZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
5284537,cyproterone,Drug,Compound,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O,DUSHUSLJJMDGTE-ZJPMUUANSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
5284566,granisetron,Drug,Compound,CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,MFWNKCLOYSRHCJ-AGUYFDCRSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrazoles,Indazoles,Indazole-3-carboxamides,none,none,none,none,none,none
5284583,Levetiracetam,Drug,Compound,CC[C@@H](C(=O)N)N1CCCC1=O,HPHUVLMMVZITSG-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
5284592,Nabilone,Drug,Compound,CCCCCCC(C)(C)C1=CC2=C([C@@H]3CC(=O)CC[C@H]3C(O2)(C)C)C(=C1)O,GECBBEABIDMGGL-RTBURBONSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
5284607,VITAMIN K1,OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C,MBWXNTAXLNYFJB-NKFFZRIASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
5284631,trospium chloride,Drug,Compound,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-],RVCSYOQWLPPAOA-DHWZJIOFSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
5284639,NSC5112,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
5284648,"3'	4'	7-Trihydroxyisoflavone",OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O,DDKGKOOLFLYZDL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5284649,17817-31-1,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O,GYLUFQJZYAJQDI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5284656,(Z)-Ethyl cinnamate,OtherMutliCpd,Compound,CCOC(=O)/C=C\C1=CC=CC=C1,KBEBGUQPQBELIU-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5287939,Cholesteryl linoleate,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,NAACPBBQTFFYQB-LJAITQKLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
5288266,(R)-3-Hydroxytetradecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCC[C@H](CC(=O)O)O,ATRNZOYKSNPPBF-CYBMUJFWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5288783,Calcipotriol,Drug,Compound,C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C,LWQQLNNNIPYSNX-UROSTWAQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
5288826,Morphine,Drug,Compound,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,BQJCRHHNABKAKU-KBQPJGBKSA-N,Organic compounds,Alkaloids and derivatives,Morphinans,none,Morphinans,none,none,none,none,none,none
5288905,Lacto-N-biose I,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,HMQPEDMEOBLSQB-RCBHQUQDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
5289590,D-xylulose,OtherMutliCpd,Compound,C([C@H]([C@@H](C(=O)CO)O)O)O,ZAQJHHRNXZUBTE-WUJLRWPWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
5291488,NSC700145,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O,PEFNSGRTCBGNAN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5311000,alclometasone,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl,FJXOGVLKCZQRDN-PHCHRAKRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5311027,Bimatoprost,Drug,Compound,CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O,AQOKCDNYWBIDND-FTOWTWDKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5311051,clobetasol,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C,FCSHDIVRCWTZOX-DVTGEIKXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
5311052,CLOCORTOLONE,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)Cl)C)F,YMTMADLUXIRMGX-RFPWEZLHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5311066,DESONIDE,Drug,Compound,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O,WBGKWQHBNHJJPZ-LECWWXJVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5311067,desoximetasone,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C,VWVSBHGCDBMOOT-IIEHVVJPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
5311068,DEXMEDETOMIDINE,Drug,Compound,CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C,CUHVIMMYOGQXCV-NSHDSACASA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Xylenes,o-Xylenes,none,none,none,none,none,none
5311080,Endomorphin 1,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N,ZEXLJFNSKAHNFH-SYKYGTKKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5311081,Endomorphin 2,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N,XIJHWXXXIMEHKW-LJWNLINESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5311101,fluticasone,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F,MGNNYOODZCAHBA-GQKYHHCASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
5311167,Halobetasol,Drug,Compound,C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C)F,LEHFPXVYPMWYQD-XHIJKXOTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
5311211,15d-PGJ2,OtherMutliCpd,Compound,CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)O,VHRUMKCAEVRUBK-GODQJPCRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5311221,latanoprost,Drug,Compound,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O,GGXICVAJURFBLW-CEYXHVGTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5311239,"13	14-Dihydro PGF-1alpha",OtherMutliCpd,Compound,CCCCC[C@@H](CC[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O,WMHAOJIJVNDMKA-BRIYLRKRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5311309,nateglinide,Drug,Compound,CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O,OELFLUMRDSZNSF-OFLPRAFFSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
5311412,Vexol,Drug,Compound,CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)C,QTTRZHGPGKRAFB-OOKHYKNYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Oxosteroids,20-oxosteroids,none,none,none,none,none,none
5311489,Tryptase,OtherMutliCpd,Compound,CC1=CC(=CC2=C1C=CC(=O)O2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C.CC(=O)O,WGWZNYKOUXOZTC-NAGNLMCHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5312125,Silodosin,Drug,Compound,C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F,PNCPYILNMDWPEY-QGZVFWFLSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxamides and derivatives,none,none,none,none,none,none
5312289,9-methyldecanoic acid,OtherMutliCpd,Compound,CC(C)CCCCCCCC(=O)O,VSAJTRPXXNCHGB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5312293,11-methylhexadecanoic acid,OtherMutliCpd,Compound,CCCCCC(C)CCCCCCCCCC(=O)O,AOKNWGQMRWJWFS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312351,(Z)-4-Decenoic acid,OtherMutliCpd,Compound,CCCCC/C=C\CCC(=O)O,XKZKQTCECFWKBN-SREVYHEPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5312378,cis-5-Dodecenoic acid,OtherMutliCpd,Compound,CCCCCC/C=C\CCCC(=O)O,IJBFSOLHRKELLR-FPLPWBNLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5312400,Physeteric acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCC(=O)O,AFGUVBVUFZMJMX-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312409,"(5Z	8Z)-tetradeca-5	8-dienoic acid",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCC(=O)O,HXHZGHRLVRFQDR-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312413,11-Hexadecenoic acid,OtherMutliCpd,Compound,CCCC/C=C/CCCCCCCCCC(=O)O,JGMYDQCXGIMHLL-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312416,13Z-hexadecenoic acid,OtherMutliCpd,Compound,CC/C=C\CCCCCCCCCCCC(=O)O,UFRASUJYZLLIJC-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312440,9E-heptadecenoic acid,OtherMutliCpd,Compound,CCCCCCC/C=C/CCCCCCCC(=O)O,QSBYPNXLFMSGKH-CMDGGOBGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312508,Stearidonic acid,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,JIWBIWFOSCKQMA-LTKCOYKYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5312513,cis-10-Nonadecenoic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCC(=O)O,BBOWBNGUEWHNQZ-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312518,cis-13-eicosenoic acid,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCCCC(=O)O,URXZXNYJPAJJOQ-FPLPWBNLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312531,mead acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O,UNSRRHDPHVZAHH-YOILPLPUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312549,11-Docosenoic acid,OtherMutliCpd,Compound,CCCCCCCCCC/C=C/CCCCCCCCCC(=O)O,KJDZDTDNIULJBE-VAWYXSNFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5312557,Docosatrienoic Acid,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O,WBBQTNCISCKUMU-PDBXOOCHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5312571,17-hexacosenoic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C/CCCCCCCCCCCCCCCC(=O)O,RQIDQEBURXNDKG-MDZDMXLPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5312595,(Z)-Hept-4-enoic acid,OtherMutliCpd,Compound,CC/C=C\CCC(=O)O,KFXPOIKSDYRVKS-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5312687,"15-Octadecene-9	11	13-triynoic acid",OtherMutliCpd,Compound,CC#CC#CC#CCCCCCCCC(=O)O,HZBWORWQUKIWJQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312694,5-Octadecynoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCC#CCCCC(=O)O,GDBJCCBRRCYCEG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312741,10-Hydroxy-8-decenoic acid,OtherMutliCpd,Compound,C(CCCC(=O)O)CC/C=C/CO,RCXJFGCVOBRFEH-FNORWQNLSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
5312766,"15	16-dihydroxy-octadecanoic acid",OtherMutliCpd,Compound,CCC(C(CCCCCCCCCCCCCC(=O)O)O)O,LSFLNLHTOKKPHT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312798,(3R)-3-Hydroxydecanoic acid,OtherMutliCpd,Compound,CCCCCCC[C@H](CC(=O)O)O,FYSSBMZUBSBFJL-SECBINFHSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
5312804,(3R)-3-Hydroxydodecanoic acid,OtherMutliCpd,Compound,CCCCCCCCC[C@H](CC(=O)O)O,MUCMKTPAZLSKTL-LLVKDONJSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
5312830,9(S)-HODE,OtherMutliCpd,Compound,CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)O,NPDSHTNEKLQQIJ-UINYOVNOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5312838,3R-hydroxy-octadecanoic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H](CC(=O)O)O,POMQYTSPMKEQNB-QGZVFWFLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312860,D-2-Hydroxyoctanoic acid,OtherMutliCpd,Compound,CCCCCC[C@H](C(=O)O)O,JKRDADVRIYVCCY-SSDOTTSWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5312861,(R)-3-hydroxyoctanoic acid,OtherMutliCpd,Compound,CCCCC[C@H](CC(=O)O)O,NDPLAKGOSZHTPH-SSDOTTSWSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
5312877,"5	8	12-TriHOME(9)",OtherMutliCpd,Compound,CCCCCCC(C/C=C/C(CCC(CCCC(=O)O)O)O)O,LGADJSRSYLFTSG-UXBLZVDNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5312905,11-oxooctadecanoic acid,OtherMutliCpd,Compound,CCCCCCCC(=O)CCCCCCCCCC(=O)O,ZWXGGJPQIPPKPP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5313971,LysoPC(10:0),OtherMutliCpd,Compound,CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O,SECPDKKEUKDCPG-QGZVFWFLSA-O,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
5314180,3-(4-Methoxyphenyl)-2-propen-1-ol,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/CO,NYICIIFSBJOBKE-NSCUHMNNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
5315126,Uralenol,OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O)C,WOMWVGHYSNATOB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
5315127,Uralenol-3-methylether,OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O)O)C,VCKYLOIMXUHPDA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
5315162,AC1NSSRF,OtherMutliCpd,Compound,CC1CCC2=C(C=[N+](C=C12)CCC3=CC=C(C=C3)O)CO,XLWXLZKPQFKGJS-UHFFFAOYSA-O,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
5315179,Venoterpine,OtherMutliCpd,Compound,CC1C(CC2=C1C=NC=C2)O,IOIGOIPHPUCFOB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
5315190,AC1NSSSS,OtherMutliCpd,Compound,CCC(/C=C/C(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C,JZVFJDZBLUFKCA-CMDGGOBGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5315206,AC1NSSTA,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,CSNXTSWTBUEIJB-PXJYGDGDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-8-O-glycosides,none,none,none,none,none
5315263,Casticin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O,PJQLSMYMOKWUJG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5315279,1047-87-6,OtherMutliCpd,Compound,C1C(N=C(C=C1/C=C/NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,HWOAHVAPMFFSAN-ONEGZZNKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
5315299,Betulenol,OtherMutliCpd,Compound,CC1(CC2C1CC/C(=C\CCC2=C)/CO)C,MGIQTXDHQJGPEZ-WUXMJOGZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5315333,AC1NSSXX,OtherMutliCpd,Compound,C1C(=CC(=O)C2=C(C=C(C(=C21)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C7=CC(=C(C=C7)O)O,JVSQYTTXVOHJON-HQJCHOFBSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5315354,No_auto_id,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)NC3=C4C5C6C(C5(C)C)CCC6(OC4=C(C=C23)C)C,UAEHAKMCIFYYGZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5315364,Bicyclomahanimbine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=CC=CC=C4N3)C5C6C(C5(C)C)CCC6(O2)C,CUSONBTUCOAEMV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5315407,No_auto_id,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4[C@@]3(CCC5C4CC[C@H]6[C@@]5(C[C@@H](C(C6)O)O)C)C)C)OC1,FWCXELAAYFYCSR-DIDGNJEHSA-N,none,none,none,none,none,none,none,none,none,none,none
5315426,Zanthosimuline,OtherMutliCpd,Compound,CC(=CCCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C)C,VMCDFWKTDCXEJZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
5315433,5-epi-Curzerenone,OtherMutliCpd,Compound,CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C,ZVMJXSJCBLRAPD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
5315459,Bilobetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O,IWEIJEPIYMAGTH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5315469,aR-Turmerol,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)CC(C=C(C)C)O,NRBFEAZFHRHFFQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5315472,Bisdemethoxycurcumin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,PREBVFJICNPEKM-YDWXAUTNSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
5315513,Pyroside,OtherMutliCpd,Compound,CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)O)O)O)O,XABUTYXAHYMCDK-RKQHYHRCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
5315594,AC1NST8Q,OtherMutliCpd,Compound,CC1=C[C@@H]2[C@H](CC1)[C@](CCC2C(C)C)(C)O,LHYHMMRYTDARSZ-WIGRTHMWSA-N,none,none,none,none,none,none,none,none,none,none,none
5315600,AC1NST92,OtherMutliCpd,Compound,C1[C@H](C([C@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O,GYFFKZTYYAFCTR-BKRVHWFXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
5315603,AC1NST9B,OtherMutliCpd,Compound,C1C([C@@H]([C@@H](C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O,QMPHZIPNNJOWQI-OKLHOYPMSA-N,none,none,none,none,none,none,none,none,none,none,none
5315609,Calacorene,OtherMutliCpd,Compound,CC1CC=C(C2=C1C=CC(=C2)C)C(C)C,YLIAZCIBLKJTKN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5315632,AC1NSTB2,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4C3(CC([C@@]5(C4CC(CC5O)(C)C)CO)O)C)C)(C)CO)O,SPCSEMLFKVZFJN-YVZDPFMTSA-N,none,none,none,none,none,none,none,none,none,none,none
5315688,7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)O)O,ZCNVIPLKMDPDHM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5315696,3-[(E)-pentadec-8-enyl]phenol,OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCC1=CC(=CC=C1)O,YLKVIMNNMLKUGJ-BQYQJAHWSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
5315739,N-Acetyldehydroanonaine,OtherMutliCpd,Compound,CC(=O)N1CCC2=CC3=C(C4=C2C1=CC5=CC=CC=C54)OCO3,FNUSCCFSHRMQQM-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
5315768,Celereoin,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O,WCBFKVBQHXJRCX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
5315832,Isochlorogenic acid,OtherMutliCpd,Compound,C1C(C(C(CC1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,CWVRJTMFETXNAD-DUXPYHPUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
5315835,Gravacridonechlorine,OtherMutliCpd,Compound,CC(CO)(C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C)Cl,NJSSDVNYKRNTDP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5315892,cinnamyl alcohol,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/CO,OOCCDEMITAIZTP-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
5315912,(Z)-Cinnamyl acetate,OtherMutliCpd,Compound,CC(=O)OC/C=C\C1=CC=CC=C1,WJSDHUCWMSHDCR-YVMONPNESA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
5315946,3-hydroxy-5-[hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one,OtherMutliCpd,Compound,CN1C(C(C(C1=O)O)C2=CC=CC=C2)C(C3=CC=CC=C3)O,WGYGSZOQGYRGIP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolidines,Phenylpyrrolidines,Phenylpyrrolidines,none,none,none,none,none,none
5316039,Acetylpterosin C,OtherMutliCpd,Compound,CC1C(C2=CC(=C(C(=C2C1=O)C)CCOC(=O)C)C)O,KBPAOKSMUDDOIN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5316074,alpha-Corocalene,OtherMutliCpd,Compound,CC1=CC2=C(C=CC(=C2CC1)C)C(C)C,VTUZIFHLLUSULC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5316120,AC1NSTWG,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)/C=C\C6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C,KWLOAKAXMOYBRK-GDNBJRDFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5316208,Curcolone,OtherMutliCpd,Compound,CC1=C2C(=O)C3=C(CC2(C(CC1)O)C)OC=C3C,PFIXJSCFTAVWBW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
5316212,Curcumadiol,OtherMutliCpd,Compound,CC(C)C1=CCC(C2CCC(C2C1)(C)O)(C)O,FNMDHMSGEIODFP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
5316244,AC1NSU2M,OtherMutliCpd,Compound,CN1[C@H]2C(C(C1=O)OC2C3=CC=CC=C3)C4=CC=CC=C4,QVGJMLNUOQHRAS-YSURMTKTSA-N,Organic compounds,Organoheterocyclic compounds,Oxazinanes,Morpholines,Phenylmorpholines,none,none,none,none,none,none
5316250,Cycloheterophyllin,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=CC(=C(C=C54)O)O)C=C(C)C)O)C=CC(O2)(C)C)C,ZZPIXEJZTXAVCX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
5316283,Cyperolone,OtherMutliCpd,Compound,CC(=C)[C@@H]1CC[C@]2(CC[C@@H]([C@]2(C1)C(=O)C)O)C,YALFFHSIVPCNLF-QPSCCSFWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,none,none,none,none,none,none
5316316,Daucic acid,OtherMutliCpd,Compound,C1=C(OC(C(C1O)O)C(=O)O)C(=O)O,KUKCUROTFRBUNU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
5316427,N-VANILLYLOCTANAMIDE,OtherMutliCpd,Compound,CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,JYZDUDMWJFJCON-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5316450,AC1NSUAV,OtherMutliCpd,Compound,CCCCCCCCCC(=O)/C=C(/C=C\C1=CC(=C(C=C1)O)OC)\O,NILVTWAPVHQVPS-PBYGQCEKSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5316496,AC1NSUC6,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O,WIIMVXRNTVGXEQ-LCENJUANSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
5316533,AC1NSUD8,OtherMutliCpd,Compound,CCC(C)C1C(=O)N/C=C\C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C)C(C)C,OMVRKRVDDRUXPW-PFONDFGASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5316534,Dendrolasin,OtherMutliCpd,Compound,CC(=CCC/C(=C/CCC1=COC=C1)/C)C,LZBXPXAOYQVZEC-RIYZIHGNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
5316543,AC1NSUDK,OtherMutliCpd,Compound,CCC(C)C1C(=O)N/C=C\C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C4=CC=CC=C4,GVFKEVFAPIUOAI-MRCUWXFGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5316606,Deoxyrhapontin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,MFMQRDLLSRLUJY-DXKBKAGUSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
5316673,Afzelin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O,SOSLMHZOJATCCP-AEIZVZFYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5316717,AC1NSUK8,OtherMutliCpd,Compound,CC[C@@H](C)C(=O)OC1CC[C@@H]([C@@]2([C@H]1[C@H]([C@@]3(C2)C(=C)COC3=O)OC(=O)C)C)C,RLFYIIYBXGSPOM-NBSMJHIWSA-N,none,none,none,none,none,none,none,none,none,none,none
5316728,Dihydromelilotoside,OtherMutliCpd,Compound,C1=CC=C(C(=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,FXEOLMWSBWXMSF-TVKJYDDYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
5316733,Dihydrooroxylin A,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)O,QUAPPCXFYKSDSV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5316763,"2'	7-Dihydroxy-4'	5'-dimethoxyisoflavone",OtherMutliCpd,Compound,COC1=C(C=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC,UYOJEKMKWXYOEQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5316793,Pinostrobin chalcone,OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)O)C(=O)/C=C/C2=CC=CC=C2)O,CUGDOWNTXKLQMD-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5316858,"2	3-Di-O-methylellagic acid",OtherMutliCpd,Compound,COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4O)O)C(=O)O2)OC,DMPZOHHHRRENRS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5316860,Syringin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO,QJVXKWHHAMZTBY-GCPOEHJPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
5316891,"7-Hydroxy-2	5-dimethyl-4H-1-benzopyran-4-one",OtherMutliCpd,Compound,CC1=CC(=CC2=C1C(=O)C=C(O2)C)O,CRNGFKXWIYTEPH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5316902,"4	7-Dimethyltetral-1-one",OtherMutliCpd,Compound,CC1CCC(=O)C2=C1C=CC(=C2)C,SQESYXTWWGWCFK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
5316932,"1	7-diphenyl-4-hepten-3-one",OtherMutliCpd,Compound,C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2,UDNMYDZHPMNIEQ-RIYZIHGNSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5316933,"2	3-dihydroxy-1	3-diphenylpropan-1-one",OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)O)O,QOFVVEZPQRISRL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retro-dihydrochalcones,none,none,none,none,none,none
5316959,Dolineone,OtherMutliCpd,Compound,C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6,RAJDDCCSNZAPCH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
5317013,Edultin,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C,FFCDTHIJWHJUQJ-JZWAJAMXSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
5317025,Linarin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O,YFVGIJBUXMQFOF-PJOVQGMDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5317053,AC1NSV2V,OtherMutliCpd,Compound,C[C@H]1C(CC[C@]2(C1C3=CCC4[C@]5(CCC(C(C5CC[C@]4(C3(CC2)C)C)(C)C)O)C)C)C,FSLPMRQHCOLESF-UOORXERDSA-N,none,none,none,none,none,none,none,none,none,none,none
5317180,No_auto_id,OtherMutliCpd,Compound,CC(C)C1=C2[C@H]3CC=C4[C@@H]5C(C3(CC[C@]2(CC1)C)C)O[C@H]6[C@@]5([C@H]([C@@](C4O)(CO6)O)O)O,YUCYEVHMFBEBSC-UTUYNYQZSA-N,none,none,none,none,none,none,none,none,none,none,none
5317189,Erosnin,OtherMutliCpd,Compound,C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C6C(=C5)C=CO6)OC4=O,YQXNKHVPEJJBTJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5317202,AC1NSV7X,OtherMutliCpd,Compound,CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OS(=O)(=O)CC(=O)O)O)C=C1,FESQVDOEHMLQJE-LIRRHRJNSA-N,Organic compounds,Alkaloids and derivatives,Erythrina alkaloids,Erythrinanes,Erythrinanes,none,none,none,none,none,none
5317238,Ethyl caffeate,OtherMutliCpd,Compound,CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O,WDKYDMULARNCIS-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5317269,.alpha.-Eudesmol,OtherMutliCpd,Compound,CC1=CCC[C@]2(C1C[C@@H](CC2)C(C)(C)O)C,FCSRUSQUAVXUKK-ILWWEHDPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
5317271,Eugenone,OtherMutliCpd,Compound,CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC,ZYRBXTNFHYZHSK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
5317274,AC1NSVCI,OtherMutliCpd,Compound,CC(C)C[C@@H]1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O,DRQVGVASTZKOLP-MJVHOSHBSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
5317275,No_auto_id,OtherMutliCpd,Compound,C/C/1=C\[C@H]2[C@H](C2(C)C)CCC3([C@H](CC1)C(C4=C(C(=C(C(=C4O3)C=O)O)C=O)O)CC(C)C)C,AGTXIGWLMDUUMQ-UIORLZJKSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
5317276,Euglobal V,OtherMutliCpd,Compound,CC1CCC2C(C2(C)C)C3C14CCC3(C(C5=C(C(=C(C(=C5O4)C=O)O)C=O)O)CC(C)C)C,BIAFCXUFUQOOMP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
5317346,AC1NSVGG,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O,RAGZUCNPTLULOL-HWKANZROSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
5317377,SCUTIGERAL,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O)O)C=O,XQTQSUUULVXJPG-JTCWOHKRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5317388,AC1NSUSW,OtherMutliCpd,Compound,CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC(C)C)C(C)C)N(C)C,ULQXKOIGVXLOOC-PFONDFGASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5317425,Furanodienone,OtherMutliCpd,Compound,C/C/1=C/C(=O)C2=C(C/C(=C/CC1)/C)OC=C2C,XVOHELPNOXGRBQ-IKVLVDHLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
5317426,Furanoeremophilane,OtherMutliCpd,Compound,CC1CCCC2C1(CC3=C(C2)OC=C3C)C,LCYZOSVRKHROOX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
5317428,AC1NSVKY,OtherMutliCpd,Compound,C[C@H]1C(CC[C@H]2[C@@]1([C@@H](C3=C(C2)OC=C3C)O)C)O,JWKRZHJQYDUUNQ-WLNJXQACSA-N,none,none,none,none,none,none,none,none,none,none,none
5317429,Furanojaponin,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@]2(CC3=C(C[C@H]2C1)OC=C3C)C)C,DDJITDJHDCLHOK-VAHIDXFOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
5317431,S-Furanopetasitin,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)O[C@@H]1C2=C(C[C@@H]3[C@]1([C@H](C(CC3)OC(=O)/C=C/SC)C)C)OC=C2C,DZIJJEZRPMYRRP-OOEJXFKJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
5317463,6-O-galloyl-beta-D-glucose,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O,VGVDLJNNDOFWKT-JEUROIALSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
5317465,"2	3-dihydroxypropyl 3	4	5-trihydroxybenzoate",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC(CO)O,PDEQYQCQYAQJPN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
5317478,Gancaonin A,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)OC)O)C,JQNSUDIGIIGIOL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
5317479,Gancaonin B,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)O)O)C,YQEPOQVRUDADPH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
5317480,Lupiwighteone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O)C,YGCCASGFIOIXIN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5317481,Gancaonin D,OtherMutliCpd,Compound,C/C(=C\CC1=C(C=C(C2=C1OC=C(C2=O)C3=CC(=C(C=C3)OC)O)O)O)/CO,UCKSAYIMWMIZQJ-QDEBKDIKSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
5317483,Gancaonin P-3'-methyl ether,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)O)C,UXTFKMCFQVSJLL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
5317502,AC1NSVPJ,OtherMutliCpd,Compound,C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,KGELVXQPIUKGCO-BOSKRLFKSA-N,none,none,none,none,none,none,none,none,none,none,none
5317511,AC1NSVQA,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC=C3C2=CC[C@]4([C@]3(CC[C@@H]4[C@@H](CCC(C(C)(C)O)O)CO)C)C)(C)C)O,WTQONTJAKKYKBA-SIIIMULTSA-N,none,none,none,none,none,none,none,none,none,none,none
5317524,Ganosporeric acid A,OtherMutliCpd,Compound,CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(=O)C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C,AKWNYHCILPEENZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5317559,Gentiatibetine,OtherMutliCpd,Compound,CC1=NC=CC2=C1C(OCC2)O,HCBOYQSYWSEVID-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyranopyridines,none,Pyranopyridines,none,none,none,none,none,none
5317564,8-geranyloxypsoralen,OtherMutliCpd,Compound,CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C,SOVNCTNQAWWYAQ-OQLLNIDSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
5317587,"[6]-Gingerdiol 3	5-diacetate",OtherMutliCpd,Compound,CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C,PXBFKEHWQRAQQD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
5317588,"1-(4-hydroxy-3-methoxyphenyl)dodecane-3	5-diol",OtherMutliCpd,Compound,CCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O,RLBBNYBPCMIQMG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiols,none,none,none,none,none,none
5317590,"1-(4-hydroxy-3-methoxyphenyl)tetradecane-3	5-diol",OtherMutliCpd,Compound,CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O,LGSIUDXMEDKEPY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiols,none,none,none,none,none,none
5317591,AC1NSVUE,OtherMutliCpd,Compound,CCCCCCCCCC(=O)/C=C(/CCC1=CC(=C(C=C1)O)OC)\O,ZDFMHONYMPZGOT-MNDPQUGUSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5317592,Gingerenone B,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)OC,BGYDJLLXKGVQBP-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5317593,Gingerenone C,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O)O,JYHZFCAVESZNKO-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5317596,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one,OtherMutliCpd,Compound,CCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,GDRKZARFCIYVCI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerols,none,none,none,none,none,none
5317599,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadecan-3-one,OtherMutliCpd,Compound,CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O,HQXJXOYLPWCMGL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerols,none,none,none,none,none,none
5317600,(8E)-Anacardic Acid,OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O,YXHVCZZLWZYHSA-BQYQJAHWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
5317635,Ginsenoyne D,OtherMutliCpd,Compound,CCCCCCCC1C(O1)CC#CC#CC(CC)O,WDZQEROINMBCOK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5317650,Glabrin C,OtherMutliCpd,Compound,CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)CC3=CC=C(C=C3)O)C(C)C)CC(C)C,DDWIRDHTZAQZIO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5317651,Glabrin D,OtherMutliCpd,Compound,CC(C)C1C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CCC(=O)O)CC5=CC=C(C=C5)O,HUBKEBDFQLHLMX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5317652,Glabrone,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C,COLMVFWKLOZOOP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
5317726,AC1NSVYC,OtherMutliCpd,Compound,C1=CC(=C(C(=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O,FUUSOIOWAGMHTM-HSQZMIOISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
5317736,L-gamma-glutamyl-L-valine,OtherMutliCpd,Compound,CC(C)C(C(=O)O)NC(=O)CCC(C(=O)O)N,AQAKHZVPOOGUCK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5317742,Glyceollin IV,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)O)O)OC)C,WOKIXZBYDPTMJD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5317745,Glycerol trisinapate,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OCC(OC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC)COC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC,FEUWBELGELLWPV-SRDSWEMOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
5317750,Glycitein,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O,DXYUAIFZCFRPTH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5317756,Glycycoumarin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)O)C,NZYSZZDSYIBYLC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
5317761,AC1NSW0C,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C,JCGXIYQLRYPHDG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5317765,Glycyrrhiza flavonol A,OtherMutliCpd,Compound,CC1(C(CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C,UFWHTSBKDGUFOX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
5317769,Glyuranolide,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC6(CC5OC6=O)C)C)C(=O)OC)C)C,MKDSBDQLSLPNOQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5317774,Glyyunnansapogenin B,OtherMutliCpd,Compound,CC12CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C1CC(C(C2)O)(C)C(=O)O)C,ZXWLSOQCDSAYHO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5317777,Glyzaglabrin,OtherMutliCpd,Compound,C1OC2=C(O1)C(=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O,GRMSSCUVELGNHC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5317836,Gravacridonediol,OtherMutliCpd,Compound,CC(CO)(C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C)O,RQAGSTDFTGSIGB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5317837,AC1NSW36,OtherMutliCpd,Compound,CC(COC)(C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C)O,YYTVGIBSAJVHGD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5317838,Gravacridonolchlorine,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)CC(O4)C(CO)(CO)Cl)O,OYGSTYGNRLPAMK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5317854,No_auto_id,OtherMutliCpd,Compound,C[C@H](C(=C)CCC(C)[C@H]1CCC2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C)C(=O)O,FCQSIIVNJCMJLB-MAIULJHGSA-N,none,none,none,none,none,none,none,none,none,none,none
5317860,No_auto_id,OtherMutliCpd,Compound,C[C@H](C(=C)CCC(C)[C@H]1CCC2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CCC(=O)C5(C)C)C)C)C(=O)O,HTNUCKDQVIZWMJ-UMUCOWQQSA-N,none,none,none,none,none,none,none,none,none,none,none
5317991,56343-26-1,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O,NBAZENYUDPJQIH-DVQXAVRRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid 3-O-p-coumaroyl glycosides,none,none,none,none,none
5318002,No_auto_id,OtherMutliCpd,Compound,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C=C.[Cl-].[Fe+3],BTIJJDXEELBZFS-UHFFFAOYSA-K,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Metallotetrapyrroles,Metalloporphyrins,none,none,none,none,none,none
5318003,"Butanoic acid	 4-amino-2-methylene-",OtherMutliCpd,Compound,C=C(CCN)C(=O)O,FTWHFXMUJQRNBK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
5318015,Heptaphylline,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1O)C=O)C3=CC=CC=C3N2)C,ICYHRFZZQCYWNF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5318039,Hexahydrocurcumin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O)O,RSAHICAPUYTWHW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
5318057,Hispaglabridin B,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C5=C(C=C4)OC(C=C5)(C)C)OC3)C,CJUFYKORDZSOLF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
5318080,AC1NSWCH,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)O[C@@H]1[C@H]2C(CC[C@@H]([C@]2(C[C@@]13C(=C)COC3=O)C)C)OC(=O)/C(=C\C)/C,SRBBDMVRDLLMJD-FGWCDJEDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
5318090,Hovenine A,OtherMutliCpd,Compound,CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC(C)C)C(C)C)NC,ARFZEJYVBXGWDN-YPKPFQOOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5318093,Huajiaosimuline,OtherMutliCpd,Compound,CC(C)C(=O)CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C,NYATVLNHGXEKDI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
5318134,Deoxyeritadenine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2CCC(C(=O)O)O,NWPWVFAEENVVJM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
5318135,2-O-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)ellagic acid,OtherMutliCpd,Compound,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O,FHIYBTOOLROABN-YMLQNWNPSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5318169,2-Hydroxycinnamaldehyde,OtherMutliCpd,Compound,C1=CC=C(C(=C1)/C=C/C=O)O,BSDNZCQPDVTDET-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
5318214,Hydroxygenkwanin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O,RRRSSAVLTCVNIQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5318220,AC1NSWIY,OtherMutliCpd,Compound,C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O,GSEPOEIKWTXTHS-PORDJBLXSA-N,none,none,none,none,none,none,none,none,none,none,none
5318228,79559-61-8,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O,JHJPDDBIHSFERA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5318230,Aloesol,OtherMutliCpd,Compound,CC1=CC(=CC2=C1C(=O)C=C(O2)CC(C)O)O,ZYCNQWOKCMJKEZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5318262,"2H-1-Benzopyran-2-one	 4-(3	4-dihydroxyphenyl)-6-hydroxy-7-methoxy-",OtherMutliCpd,Compound,COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=C(C=C3)O)O)O,IGHVYQBBZBLNDW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Neoflavones,Neoflavones,none,none,none,none,none,none
5318274,[4]-Gingerdiacetate,OtherMutliCpd,Compound,CCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C,AUBPDZJRJKZQEX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5318294,4-(hydroxymethyl)pyrrolidine-2-carboxylic acid,OtherMutliCpd,Compound,C1C(CNC1C(=O)O)CO,CISMGNUPDUKNQK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
5318298,3-Hydroxyneogrifolin,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O)O,BACDZNLMIXNCOG-JTCWOHKRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5318311,12a-Hydroxypachyrrhizone,OtherMutliCpd,Compound,COC1=C2C(=CC3=C1OC4COC5=CC6=C(C=C5C4(C3=O)O)OCO6)C=CO2,DDGYXSWHWAQNRQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
5318321,3-(3-hydroxyphenyl)-2-oxopropanoic acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)CC(=O)C(=O)O,PNYWALDMLUDDTA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
5318349,Hydroxytanshinone,OtherMutliCpd,Compound,CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(CCC4(C)C)O,UPCWCCRFMPIOAP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Tanshinones-- isotanshinones-- and derivatives,none,none,none,none,none,none
5318367,11-Hydroxy-9-tridecenoic acid,OtherMutliCpd,Compound,CCC(/C=C/CCCCCCCC(=O)O)O,NSVPCFNUUARRKL-CSKARUKUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
5318368,AC1NSWRD,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)O,AGCLYKVLFZSTJI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5318414,Ikshusterol,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C,SXJVFYZNUGGHRG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5318532,D-threo-Isocitric acid,OtherMutliCpd,Compound,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,ODBLHEXUDAPZAU-ZAFYKAAXSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
5318544,AC1NSWZT,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)OC,BCLNKNUUTUITEA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5318556,Isoegomaketone,OtherMutliCpd,Compound,CC(C)/C=C/C(=O)C1=COC=C1,XEYCZVQIOJGCNL-ONEGZZNKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,none,none,none,none,none
5318557,Isoelemicin,OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C(=C1)OC)OC)OC,RRXOQHQFJOQLQR-AATRIKPKSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
5318562,Isoeugenitol,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C,XSSGQRFNGHRFBC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5318565,Isofraxidin,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O,HOEVRHHMDJKUMZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5318568,Isogingerenone B,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)CCC(=O)/C=C/CCC2=CC(=C(C=C2)O)OC,GCCMDTDROAUVAS-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5318569,Isoginkgetin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC,HUOOMAOYXQFIDQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5318585,Isolicoflavonol,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C,PGCKDCPTJAQQSQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
5318586,AC1NSX1U,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,AMJOONKCBORCKA-BFECWXROSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5318591,Isoliquiritin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,YNWXJFQOCHMPCK-LXGDFETPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5318597,Isomangiferin,OtherMutliCpd,Compound,C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,CDYBOKJASDEORM-HBVDJMOISA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5318598,No_auto_id,OtherMutliCpd,Compound,CC(CC/C=C(/C)\C(=O)O)C1CCC2[C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@H](C5(C)C)O)C,DTTABXYTKOKPLZ-CBDJGDSWSA-N,none,none,none,none,none,none,none,none,none,none,none
5318603,No_auto_id,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C4=C[C@@H]5C[C@H]6[C@@]4(O2)C(C5=O)(OC6(C)C)C/C=C(\C)/C(=O)O)C,COVMVPHACFXMAX-XRDFLVBJSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
5318606,CHEBI:75813,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,FOHXFLPXBUAOJM-LIBJPBHASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5318645,isorhamnetin-3-O-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,CQLRUIIRRZYHHS-LFXZADKFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5318655,No_auto_id,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)[C@H](C3[C@H]4C2(CCCC4(C)C)C(=O)O3)N)O)O,NFXKGLBUURRKEA-DADMQRQGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
5318679,Isotrifoliol,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)OC(=O)C3=C2OC4=C3C=CC(=C4)O,OVLUQDOJWGTPHA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5318720,No_auto_id,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3CCC4(C5CCC6C7C8(C(CC(O8)C(C)(C)O)OC79CC6(C5(CCC4C3(C)C)C)CO9)C)C)CO)O)O)O)O)O,UVECFACYEYHBAX-GRNQANPSSA-N,none,none,none,none,none,none,none,none,none,none,none
5318761,Kaempferol-3-O-glucorhamnoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O,OHOBPOYHROOXEI-JWMUNMLDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5318767,Nicotiflorin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O,RTATXGUCZHCSNG-QHWHWDPRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5318770,ZINC14824336,OtherMutliCpd,Compound,CC1(C=CC2=CC3=C(C=C2O1)O[C@H]4[C@@]3(COC5=C4C=CC(=C5)O)O)C,ZBTYHECJEINCMD-QUCCMNQESA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5318825,Koenigine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=CC(=C(C=C4N3)O)OC)C=CC(O2)(C)C,CZZZOTXCAIDYOZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5318827,Koenine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=C(N3)C=CC(=C4)O)C=CC(O2)(C)C,VISKLVOLGCYFCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5318834,Koparin,OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)O,SMOFGXHPWCTYQD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
5318865,Kukoamine A,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O)O)O,IOLDDENZPBFBHV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
5318956,"17-methoxy-3	5-dioxa-11-azapentacyclo[10.7.1.0;{2	6}.0;{8	20}.0;{14	19}]icosa-1(20)	2(6)	7	14	16	18-hexaen-18-ol",OtherMutliCpd,Compound,COC1=C(C2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1)O,JIFBCUOVFPCZEW-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
5318989,Licoagrochalcone B,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC(=C2OC)/C=C/C(=O)C3=CC=C(C=C3)O)C,BOJUBZPEDAAMPG-UXBLZVDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
5318990,Licoagrochalcone C,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)O)O)O)C,RDYZHQQZLIBKBP-WEVVVXLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
5318991,Licoagrochalcone D,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=CC(=C2OC)/C=C/C(=O)C3=CC=C(C=C3)O)O,FMKHMNBODOXQLQ-UXBLZVDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Furanochalcones,none,none,none,none,none,none
5318993,licoagrone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C(=O)C2(C(=O)C3=CC(=C(C=C3O2)O)CC=C(C)C)C4=CC(=C(C=C4/C=C\5/C(=O)C6=C(O5)C(=C(C=C6)O)CC=C(C)C)O)O)O)C,MEJLVLSNRYLDSG-MDCVPAOJSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5318998,licochalcone a,OtherMutliCpd,Compound,CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O,KAZSKMJFUPEHHW-DHZHZOJOSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
5318999,Licochalcone B,OtherMutliCpd,Compound,COC1=C(C=CC(=C1O)O)/C=C/C(=O)C2=CC=C(C=C2)O,DRDRYGIIYOPBBZ-XBXARRHUSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
5319001,Licofuranocoumarin,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)O,GAUFLNQQCSXBPK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
5319013,Licoricone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C,GGWMNTNDTRKETA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
5319050,No_auto_id,OtherMutliCpd,Compound,C[C@]12CCC(C(C1CC[C@@]3(C2C(=O)C=C4C3(CC5[C@@]6([C@H]4C[C@@](C(C6)O5)(C)C(=O)O)C)C)C)(C)C)O,NGWKGSCSHDHHAJ-YYDBBHKUSA-N,none,none,none,none,none,none,none,none,none,none,none
5319084,AC1NSXMX,OtherMutliCpd,Compound,CC(CCC(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C,YBGBNHHXOJXFNM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5319094,Annocherine B,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CN=C2[C@H](C3=CC=C(C=C3)O)OC)O,UGPTYMLHEHFVJS-SFHVURJKSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
5319181,AC1NSXQ6,OtherMutliCpd,Compound,C[C@@H]1[C@H]2C3=CCC4[C@](C3(CC[C@]2(CCC1C)C(=O)O)C)(C[C@H](C5[C@@]4(CC([C@@H](C5(C)C)O)O)C)O)C,WRACWYWAPQQRKC-LYTXJIGDSA-N,none,none,none,none,none,none,none,none,none,none,none
5319215,AC1NSXSL,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C=CC(O4)(C)CCC(C)(C)O,SLEYKBUTYBQPSN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5319235,"2	2-Dimethyl-2H-chromene-6-carboxylic acid",OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC(=C2)C(=O)O)C,AXICIBPYBONRSP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
5319251,Malvin chloride,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O.[Cl-],RHKJIVJBQJXLBY-FTIBDFQESA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
5319254,Mammea A/AC cyclo F,OtherMutliCpd,Compound,CCCC(=O)C1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(=O)C=C2C4=CC=CC=C4)O,OBYOQQBVJXSKIF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
5319255,Mammeigin,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(=O)C=C2C4=CC=CC=C4)O,VSDJRZADBKXDHP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
5319260,No_auto_id,OtherMutliCpd,Compound,CC(CC/C=C(/C)\C(=O)O)[C@H]1CCC2([C@@]1(CCC34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C,CYHOTEDWAOHQLA-FBXNKIIPSA-N,none,none,none,none,none,none,none,none,none,none,none
5319262,AC1NSXUF,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)/C=C/C(C)(C)O)OC)C,QXRLQTRFEMAPRP-MDZDMXLPSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
5319311,Mauritine A,OtherMutliCpd,Compound,CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C\C3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(C)N(C)C,OGCOHPMZUTVUAD-ICFOKQHNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5319322,Medicagol,OtherMutliCpd,Compound,C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O,URMVEUAWRUQHON-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5319350,Melilotocarpan C,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)OC)OC)O,ITMVICNONDPRSU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5319351,Melilotocarpan D,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)OC)O,TYCXZCXHNKDQCZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5319360,AC1NSXYJ,OtherMutliCpd,Compound,CC(C)C1(CCC(=C)C=C1)O,BLCSHJQURBOXAI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
5319361,30681-15-3,OtherMutliCpd,Compound,CC(C)C1CC(C(=C)C=C1)O,VKAGFXRPRUAOHV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
5319364,AC1NSXYV,OtherMutliCpd,Compound,CC(=C)C1=CC[C@](CC1)(C)O,ZAGYKNAXCCJVSM-JTQLQIEISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
5319375,AC1NSXZD,OtherMutliCpd,Compound,CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)CO)C(=O)O)C)C)C,CZWBKSDPBWNHGO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5319380,Mesuagin,OtherMutliCpd,Compound,CC(C)C(=O)C1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(=O)C=C2C4=CC=CC=C4)O,SVCPILBFQWTZFW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
5319411,5'-Methoxybilobetin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O,RQNXAFVREOYDNA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
5319430,"5-methoxy-1	7-diphenylheptan-3-one",OtherMutliCpd,Compound,COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2,PVYORFBABSDDNC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5319433,Citrusal,OtherMutliCpd,Compound,CC(C)(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C=O,VCYVDHAWDPDCKW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5319454,7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)OC)O,XYIISUAVSYEQLI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5319455,7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one,OtherMutliCpd,Compound,COC(CCC1=CC=C(C=C1)O)CC(=O)CCC2=CC=CC=C2,XXVCRBHITJEJAY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5319472,"3-Methoxy-4	5-methylenedioxycinnamaldehyde",OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)/C=C/C=O,IQMBSQBMNIILBR-NSCUHMNNSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
5319474,28843-40-5,OtherMutliCpd,Compound,COC1=C2C(=C3C(=C1)C=CC(=O)O3)OCO2,GHIKZCCKJTXOGO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5319497,AC1NSY6S,OtherMutliCpd,Compound,CC1=C(C=C2C=CC(=O)OC2=C1)/C=C\OC,GENWIQAWAHKDHA-WAYWQWQTSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5319500,Cassiachromone,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C(C=C2CC(=O)C)O,YMCXDPKFRCHLPK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5319509,Folerogenin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)O)O,LZLGHWHSUZVUFZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5319512,Floribundine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)O,AKXOIHNFHOEPHN-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
5319562,Methyl 4-hydroxycinnamate,OtherMutliCpd,Compound,COC(=O)/C=C/C1=CC=C(C=C1)O,NITWSHWHQAQBAW-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Coumaric acid esters,none,none,none,none,none
5319565,9-O-Methylcoumestrol,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O,HHEZPZWGHDOWCQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5319609,CHEMBL1221847,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C3C4=C2OC(=O)C5=CC(=C(C(=C54)OC3=O)OC)O)O)O)O)O,UNIJYMVRSKZTJI-HFGFDTQGSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5319662,"3'-Methoxy-[6]-Gingerdiol 3	5-diacetate",OtherMutliCpd,Compound,CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C,QCJKXQWAFFZFLJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
5319663,AC1NSYEP,OtherMutliCpd,Compound,CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)O)O,HDNGHNOEMOMCKM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
5319664,4'-O-Methylglabridin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)OC)O)C,ZZAIPFIGEGQNHP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
5319666,5-O-Methylglycyrol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)OC)C,ACDSUMGMZHXCRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5319688,2'-O-Methylisoliquiritigenin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O,PACBGANPVNHGNP-RUDMXATFSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Cinnamylphenols,Cinnamylphenols,none,none,none,none,none,none
5319704,Licorisoflavan A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C(=C(C=C3OC2)OC)CC=C(C)C)OC)O)C,GDAAEAXMNLVRCZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,none,none,none,none,none,none
5319707,24alpha-Methyllophenol,OtherMutliCpd,Compound,CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(C)C(C)C)C)C)O,AOQRDALGACAKHI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
5319715,AC1NSYHP,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)/C=C/C(C)(C)O)OC)C,SPRXFHBMQQEVDG-ZHACJKMWSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
5319733,Methylnissolin,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)OC,UOVGCLXUTLXAEC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
5319735,AC1NSYIS,OtherMutliCpd,Compound,CC1C2CCC3C(=CCC4(C3(CCC4C(C)CCC(C)C(C)C)C)C)C2(CCC1O)C,NWPXYRKVJLBSQU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
5319758,Platydesminium,OtherMutliCpd,Compound,CC(C)(C1CC2=C(C3=CC=CC=C3[N+](=C2O1)C)OC)O,HXSFUGOHWOKESA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Dihydrofuranoquinolines,Dihydrofuranoquinolines,none,none,none,none,none,none
5319879,2-Monoolein,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO,UPWGQKDVAURUGE-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
5319887,Moracin B,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)OC)O,GOUSNRMGQRTROZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5319888,Moracin E,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C(C=C2C3=CC4=C(O3)C=C(C=C4)O)O)C,GDSYWTBPYYYLLE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5319889,"5-(5	6-dimethoxy-1-benzofuran-2-yl)benzene-1	3-diol",OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)OC,MQRQKQBOYQLFAI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5319890,Moracin G,OtherMutliCpd,Compound,CC1=CCC2=C(C=CC3=C2OC(=C3)C4=CC(=CC(=C4)O)O)OC1,PRQYZCKJWCQXNM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5319891,Moracin H,OtherMutliCpd,Compound,CC1=CCC2=C3C(=C(C=C2OC1)OC)C=C(O3)C4=CC(=CC(=C4)O)O,QRLJHLHVDMQXPO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5319901,Lupinisoflavone A,OtherMutliCpd,Compound,CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O,DOGAHANJPKBCGB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
5319913,Mukonine,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)C(=O)OC)C3=CC=CC=C3N2,GIKICDROPGNERQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5319933,Mulberrofuran Q,OtherMutliCpd,Compound,CC12CC(C3=C(O1)C=C(C=C3)O)C45C(C2=O)C6=C(C=C(C=C6O)C7=CC8=C(O7)C=C(C=C8)O)OC4(O5)C9=C(C=C(C=C9)O)O,MSVXRBNAPJJEDX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5319939,AC1NSYU8,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O,KXOPSQZLBRPJGX-KEBUVGJQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5319962,Murrayacine,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=CC(=C2O1)C=O)C4=CC=CC=C4N3)C,UBTAPPWQYRWQOH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5320083,Glycyrol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O)C,LWESBHWAOZORCQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5320092,Neoisoliquiritigenin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,XQWFHGOIUZFQPJ-LXGDFETPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5320118,AC1NSZ37,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=CC(=C(C=C3O2)O)O)O)C,NACBYUYHTLUWAI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,2'-prenylated flavones,none,none,none,none,none,none
5320146,"10	11-DIHYDROXY-9-(HYDROXYMETHYL)-2	2	6A	6B	9	12A-HEXAMETHYL-1	2	3	4	4A	5	6	6A	6B	7	8	8A	9	10	11	12	12A	12B	13	14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID",OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C,RWNHLTKFBKYDOJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5320201,No_auto_id,OtherMutliCpd,Compound,CC1[C@H](CC[C@@]23C1CC[C@@H]4[C@@]2(C3)CC[C@]5(C4(CCC5C(C)CCCC(C)C)C)C)O,RXPPOAQPYLFCAS-CCEJGTPTSA-N,none,none,none,none,none,none,none,none,none,none,none
5320202,No_auto_id,OtherMutliCpd,Compound,CC1[C@H](CC[C@@]23C1CC[C@@H]4[C@@]2(C3)CC[C@]5(C4(CCC5C(C)CCCC(C)C(=C)C)C)C)O,OSKBBWPZDJRQMS-TXEQYBBNSA-N,none,none,none,none,none,none,none,none,none,none,none
5320205,AC1NSZ6L,OtherMutliCpd,Compound,CC(C)C1=CC2=C(C=C1)C3(CCCC(=C)C3CC2)C,ZPQHNIHJSIZREW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
5320206,Nordentatin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C=C)OC(=O)C=C3)C,FREXEHTVBRSRGJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Angular pyranocoumarins,none,none,none,none,none,none
5320211,PL029227,OtherMutliCpd,Compound,COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3)OC)OC)C=C1)O,OHDQLTAYHMLRBA-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
5320218,Norrubrofusarin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)O)O,RVRLLYKHCMHGKV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
5320224,AC1NSZ7L,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C,YPUHYSBFIMWSEC-KBFGWISYSA-N,none,none,none,none,none,none,none,none,none,none,none
5320225,AC1NSZ7O,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O)O)C,RTUMUBQEOSTPHN-VEIIDDJFSA-N,none,none,none,none,none,none,none,none,none,none,none
5320315,Oroxylin A,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O,LKOJGSWUMISDOF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5320318,Osthenol,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C,RAKJVIPCCGXHHS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5320347,Oxynarcotine,OtherMutliCpd,Compound,CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2,GLKPKUBRBLNOSC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5320351,Artemetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC,RIGYMJVFEJNCKD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5320384,Palmidin A,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3C2=O)O)O)C4C5=C(C(=CC=C5)O)C(=O)C6=C(C=C(C=C46)CO)O)O,DJTVMANCSQLMCX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
5320385,Palmidin B,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)C4C5=C(C(=CC=C5)O)C(=O)C6=C(C=C(C=C46)CO)O)O,AGYHUJLPTURBHW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
5320386,Palmidin C,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)C4C5=CC(=CC(=C5C(=O)C6=C(C=C(C=C46)O)O)O)C)O,VUUFXTUVVIEIMH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
5320438,Pectolinarigenin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O,GPQLHGCIAUEJQK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5320439,Pedaliin,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,WLDSVYQTJXGHOT-GSVZXUNASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5320493,AC1NSZJC,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C/C=C/C(C)(C)C(=O)O,NESXZXIMDDWEST-YRNVUSSQSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
5320530,3-Phenylpropyl cinnamate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCOC(=O)/C=C/C2=CC=CC=C2,LYRAHIUDQRJGGZ-BUHFOSPRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5320545,AC1NSZLU,OtherMutliCpd,Compound,CC1[C@@H]2CCC3[C@@](C2C(=O)C=C1C=C)(C[C@@H](C(=O)C3(C)C)O)C,XVEOIKIXOSKAFL-OLDARHFYSA-N,none,none,none,none,none,none,none,none,none,none,none
5320604,beta-Elemonic acid,OtherMutliCpd,Compound,CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C,XLPAINGDLCDYQV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5320618,Piperanine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3,QHWOFMXDKFORMO-XVNBXDOJSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
5320621,Piperlonguminine,OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2,WHAAPCGHVWVUEX-GGWOSOGESA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
5320622,(+)-Fargesin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC,AWOGQCSIVCQXBT-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
5320628,AC1NSZP8,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)/C=C/C5=CC=C(C=C5)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O,HKZIBACORRUGAC-KGMKFKQSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5320651,Pogostol,OtherMutliCpd,Compound,CC1CCC2C1CC(CCC2(C)O)C(=C)C,VYOZKWKETGHHDW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
5320686,Tiliroside,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O,DVGGLGXQSFURLP-VWMSDXGPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid 3-O-p-coumaroyl glycosides,none,none,none,none,none
5320779,(S)-Pterosin A,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)CC(C2=O)(C)CO)C)CCO,BDZJLPDYMKPKGC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320780,rac Pterosin B,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C1=O)C)CCO)C,SJNCSXMTBXDZQA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320782,AC1NSZUM,OtherMutliCpd,Compound,CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)O,QQPCNRKHGFIVLH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320783,(S)-Pterosin D,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(C(C2=O)(C)C)O)C)CCO,FITSCHPIOGIYJY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320784,Pterosin E,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C1=O)C)CC(=O)O)C,UYEZJDNVWNIIKS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320786,Pterosin J,OtherMutliCpd,Compound,CC1C(C2=CC(=C(C(=C2C1=O)C)CCCl)C)O,QKHXGZXWZRQICQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320787,(S)-Pterosin K,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)CC(C2=O)(C)CO)C)CCCl,PIZARWYEACWLJN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320788,AC1NSZV4,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(C(C2=O)(C)CO)O)C)CCO,OOAFRMHKOSBPID-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
5320800,Punicafolin,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O,DPBVYZVSXAZMAY-UUUCSUBKSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5320826,Quercetagitrin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O,IDTDRZPBDLMCLB-HSOQPIRZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5320834,7431-83-6,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O,FDRQPMVGJOQVTL-DEFKTLOSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5320836,AC1NSZX9,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,YOXWSUCVDVXAMX-DEFKTLOSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5320844,Spiraeoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,OIUBYZLTFSLSBY-HMGRVEAOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5320882,AC1NSZZ5,OtherMutliCpd,Compound,C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC[C@@H]3C(=C)CC[C@H](C3(C)C)O,XXKXCRGLMFAXTK-BEIJQFPSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
5320935,AC1NT00K,OtherMutliCpd,Compound,CCCCCCCCCCCCC([C@H]1CCC(O1)[C@@H](CCCC(=O)CCCCCCC(CC2=CC(OC2=O)C)O)O)O,VYMYUDBNVNOBII-PZSJKRMBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Annonaceous acetogenins,none,none,none,none,none,none
5320957,Rheidin A,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3C2=O)O)O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)O,RRIVQXPGYSPESH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
5320958,Rheidin B,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)O,BYPYDHLERFKKKV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
5320959,Rheidin C,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3C2=O)O)OC)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)O,NJQDJYRXLQEGRB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
5320994,Romucosine H,OtherMutliCpd,Compound,COC1=C(C2=C(C[C@@H]3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O,JWSAYTXQWHOMHU-CYBMUJFWSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
5320999,AC1NT02W,OtherMutliCpd,Compound,C[C@H]1CC[C@@]2(CCC3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)C2[C@]1(C)O)C)C(=O)O,YLHQFGOOMKJFLP-CMEGDGQVSA-N,none,none,none,none,none,none,none,none,none,none,none
5321000,AC1NT02Z,OtherMutliCpd,Compound,CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=C(C=CC=C4O)NC3=O,IXWWTVSMMIIIFZ-LWWKTLCYSA-N,Organic compounds,Organoheterocyclic compounds,Indolizidines,none,Indolizidines,none,none,none,none,none,none
5321053,AC1NT04X,OtherMutliCpd,Compound,CC1(CCCC2(C1CC=C(C2C[C@](C)(C=C)O)CO)C)C,YJLWCUHAERZZBY-VCCMTOOWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
5321087,AC1NT063,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O,GCJWPRRNLSHTRY-XBXARRHUSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5321088,AC1NT066,OtherMutliCpd,Compound,CC(C)C1=C(C=C2C(=C1)CCC3[C@@]2(CC(CC3(C)C)O)C)O,PRYXPGFZVGZNBL-FPMRRHDISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
5321094,AC1NT06I,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C,WIHKYILMSPQBIM-CCRVKKDLSA-N,none,none,none,none,none,none,none,none,none,none,none
5321164,Aureusidin 6-O-glucoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,AMJCTDBATIKENQ-YRDFTBLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Aurone O-glycosides,none,none,none,none,none
5321206,Sebiferic acid,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC(C4(C)CCC(=O)O)C(=C)C)C)C)C,STWHPCOPDBFRNW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid acids,Steroid acids,none,none,none,none,none,none
5321255,Sennidin C,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)CO)O,PXSKWUOTHDALDG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
5321312,"N-[2-(2-hydroxy-3	4-dimethoxyphenyl)-6	7-dimethoxynaphthalen-1-yl]-N-methylformamide",OtherMutliCpd,Compound,CN(C=O)C1=C(C=CC2=CC(=C(C=C21)OC)OC)C3=C(C(=C(C=C3)OC)OC)O,QNIQCCMVUPVMMU-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Benzophenanthridine alkaloids,Secobenzophenanthridine alkaloids,Secobenzophenanthridine alkaloids,none,none,none,none,none,none
5321314,Simulanoquinoline,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)CC4C5=C(C=CC(=C5OC)OC)C6=C(N4C)C7=CC8=C(C=C7C=C6)OCO8,NUVWARFQHKLGOS-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Benzophenanthridine alkaloids,Dihydrobenzophenanthridine alkaloids,Dihydrobenzophenanthridine alkaloids,none,none,none,none,none,none
5321315,Simulansine,OtherMutliCpd,Compound,CC(C)C(CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C)O,HWFNEQJAINFFPD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
5321316,Simulenoline,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C/C=C/C(C)(C)O,QEKDXAXUTISDJG-YRNVUSSQSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
5321435,Spinacetin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)O)O,XWIDINOKCRFVHQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5321487,Squamosamide,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)NCCC3=CC=C(C=C3)O,VEUGFVRUMOLGFJ-UDWIEESQSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5321501,Stevenin,OtherMutliCpd,Compound,COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O,MYVNFPJTNYAPDH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Neoflavones,Neoflavones,none,none,none,none,none,none
5321504,Peposterol,OtherMutliCpd,Compound,CCC(=C(C)C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C,STLJXSQSUAPXFX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5321510,"(3beta	5alpha	22E	24S)-Stigmasta-7	22	25-trien-3-ol",OtherMutliCpd,Compound,CCC(/C=C/C(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(=C)C,IMWBKGMKWXIXEQ-CMDGGOBGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5321539,SUBERENONE,OtherMutliCpd,Compound,CC(=O)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC,GSVYFPMXLIFUDJ-ONEGZZNKSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5321629,AC1NT0PT,OtherMutliCpd,Compound,CC1C2[C@H]3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4(C3(CC[C@]2(CCC1=C)C)C)C)(C)C)OC(=O)C)C,SFEUTIOWNUGQMZ-WIDYSLCOSA-N,none,none,none,none,none,none,none,none,none,none,none
5321816,Teresantalic acid,OtherMutliCpd,Compound,CC1(C2CC3C1(C3C2)C)C(=O)O,QHDPITNBVDSMQH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
5321825,Terrestribisamide,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,CHEMZHJQHCVLFI-MKICQXMISA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
5321849,"5	6	7	8-Tetrahydro-2	4-dimethylquinoline",OtherMutliCpd,Compound,CC1=CC(=NC2=C1CCCC2)C,ZBIKAJHAGKBFKR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Hydroquinolines,Hydroquinolines,none,none,none,none,none,none
5321853,"5-(1	3-benzodioxol-5-yl)pentanoic acid",OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)CCCCC(=O)O,VSLFLWQBWGEPBW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
5321880,Ugaxanthone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)O)C,ZZUFNBISWJNCEE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
5321951,Benzosimuline,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)C(OC3=C2C(=O)N(C4=CC=CC=C43)C)(C)C,OSBHLKXCNYMURI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
5321977,Torachrysone,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C=C(C=C2O)OC)O)C(=O)C,BIJOPUWEMBBDEG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthols and derivatives,Naphthols and derivatives,none,none,none,none,none,none
5321980,Toralactone,OtherMutliCpd,Compound,CC1=CC2=C(C(=C3C(=C2)C=C(C=C3O)OC)O)C(=O)O1,WEHXAEGTVPWKDY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
5321987,Torvanol A,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)OCC(C2OS(=O)(=O)O)C3=C(C(=CC(=C3)/C=C/C(=O)O)OC)O,XKGLTSPFQHSIDD-ZZXKWVIFSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,6-O-methylated isoflavonoids,none,none,none,none,none,none
5322012,GROSSAMIDE,OtherMutliCpd,Compound,COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)/C=C/C(=O)NCCC5=CC=C(C=C5)O,DROXVBRNXCRUHP-VGOFMYFVSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5322038,AC1NT146,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O,MACFXELYCBWKGT-VFTFQOQOSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
5322052,CHEMBL3335591,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)/C=C/C2=C(C=C(C=C2)O)O)O,VDYSHUXENHRSOO-XBXARRHUSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
5322091,"3	5	6-Trihydroxy-3'	4'	7'-trimethoxyflavone",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)O)OC,CZPFBNZMODZHIK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5322151,5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)OC)O,VCUFPKRXFVNKKD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5323537,AC1NT3UQ,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,ZYYJHXKSQKLEBL-QDYVESOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5324345,AC1NT50H,Drug,Compound,COCCCC/C(=N\OCC[NH3+])/C1=CC=C(C=C1)C(F)(F)F,CJOFXWAVKWHTFT-XSFVSMFZSA-O,Organic compounds,Benzenoids,Benzene and substituted derivatives,Trifluoromethylbenzenes,Trifluoromethylbenzenes,none,none,none,none,none,none
5324358,Licocoumarin A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2=CC3=C(C(=C(C=C3)O)CC=C(C)C)OC2=O)O)C,UAGJZOLUSRCDEP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
5324368,Dulciol A,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C2C(=C(C(=C1O)O)CC=C(C)C)C(=O)C3=C(C=C(C=C3O2)O)O)/C)C,GPHYDWLQZOOUFR-LICLKQGHSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5325915,D-Erythronolactone,OtherMutliCpd,Compound,C1[C@H]([C@H](C(=O)O1)O)O,SGMJBNSHAZVGMC-PWNYCUMCSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
5325923,(4S)-4-hydroxy-4-methyloxan-2-one,OtherMutliCpd,Compound,C[C@@]1(CCOC(=O)C1)O,JYVXNLLUYHCIIH-LURJTMIESA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Delta valerolactones,Delta valerolactones,none,none,none,none,none,none
5326793,PE(16:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,RPJZYOHZALDGKI-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
5327071,DIGUANOSINE-PENTAPHOSPHATE,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4[C@@H]([C@@H]([C@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N,RELSGTOCAPVUGP-DTFXMBEISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
5329102,Sunitinib,Drug,Compound,CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C,WINHZLLDWRZWRT-ATVHPVEESA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
5331104,Paullone Analog 3,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)[N+](=O)[O-])OC,KYRQRRGDKAIFMA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzazepines,none,Benzazepines,none,none,none,none,none,none
5340168,ST50909318,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C(=O)NN/C=C\3/C=CC=CC3=O,UMASFDXEIDEIFE-LUAWRHEFSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxamides and derivatives,none,none,none,none,none,none
5351506,NSC26665,OtherMutliCpd,Compound,C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O,XHCADAYNFIFUHF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Coumarin glycosides,Coumarin glycosides,none,none,none,none,none,none
5351619,L-Ergothioneine,OtherMutliCpd,Compound,C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-],SSISHJJTAXXQAX-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Histidine and derivatives,none,none,none,none
5351745,NSC35450,OtherMutliCpd,Compound,C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[I-],CRAOGNOTDDTUBO-UHFFFAOYSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
5351945,NSC101751,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)N(C2=O)OCCSC(=N)N.[Br-],WCCASMCHYKEXQM-UHFFFAOYSA-M,Organic compounds,Organoheterocyclic compounds,Isoindoles and derivatives,Isoindolines,Isoindolones,Phthalimides,none,none,none,none,none
5352000,Myricetin 3-rhamnoside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O,DCYOADKBABEMIQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5352005,Retusin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC,HHGPYJLEJGNWJA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
5352032,"4'	5	7-Trihydroxy-3	6-dimethoxyflavone",OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O,DDNPCXHBFYJXBJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5352089,4-Nerolidylcatechol,OtherMutliCpd,Compound,CC(=CCC/C(=C/CCC(C)(C=C)C1=CC(=C(C=C1)O)O)/C)C,ZBZZDHDWRSFLAY-GZTJUZNOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5352090,Guttiferone A,OtherMutliCpd,Compound,CC(=CCC[C@@]1([C@H](C[C@]2(C(=O)/C(=C(/C3=CC(=C(C=C3)O)O)\O)/C(=O)[C@@]1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C,SHBMQWRFQJLYJU-UGUZKGPTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
5352601,"3-Hexen-1-ol	 benzoate",OtherMutliCpd,Compound,CC/C=C/CCOC(=O)C1=CC=CC=C1,BCOXBEHFBZOJJZ-ONEGZZNKSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
5352808,"(3Z	6Z)-3	6-Nonadienal",OtherMutliCpd,Compound,CC/C=C\C/C=C\CC=O,FIDBXHOCOXRPRO-CWWKMNTPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5352833,(Z)-4-Hepten-2-ol,OtherMutliCpd,Compound,CC/C=C\CC(C)O,KZUFTCBJDQXWOJ-PLNGDYQASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5352899,n-butylidenephthalide,OtherMutliCpd,Compound,CCC/C=C/1\C2=CC=CC=C2C(=O)O1,WMBOCUXXNSOQHM-DHZHZOJOSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Isobenzofuranones,none,none,none,none,none,none
5352905,"4-Propenyl-2	6-dimethoxyphenol",OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C(=C1)OC)O)OC,YFHOHYAUMDHSBX-SNAWJCMRSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5353439,biliverdin,OtherMutliCpd,Compound,CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C/C4=NC(=O)C(=C4C)C=C)CCC(=O)O,RCNSAJSGRJSBKK-YKSNQIBWSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
5353456,C16-0(Palmitoyl)ceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O,YDNKGFDKKRUKPY-ORIPQNMZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
5353545,MLS002702988,OtherMutliCpd,Compound,CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O,IXQKXEUSCPEQRD-OUKQBFOZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
5353546,AC1NS4BD,OtherMutliCpd,Compound,CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)/C=C/C(C)(C)O)O)O)C)C,SRPHMISUTWFFKJ-VAWYXSNFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
5353547,Cucurbitacine E,OtherMutliCpd,Compound,CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O,NDYMQXYDSVBNLL-OUKQBFOZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
5353588,5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5353639,gambogic acid,OtherMutliCpd,Compound,CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)C)C,GEZHEQNLKAOMCA-XKZIYDEJSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
5353739,Mahanimbilol,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C3=CC=CC=C3N2)C/C=C(\C)/CCC=C(C)C)O,JSSIAXXILAGJKE-FOWTUZBSSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
5353853,oxiconazole,Drug,Compound,C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl,QRJJEGAJXVEBNE-HKOYGPOVSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Chlorobenzenes,Dichlorobenzenes,none,none,none,none,none
5353911,psi-tectorigenin,OtherMutliCpd,Compound,COC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O,UYLQOGTYNFVQQX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5354280,Vanitrope,OtherMutliCpd,Compound,CCOC1=C(C=C(C=C1)/C=C/C)O,RADIRXJQODWKGQ-HWKANZROSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
5354896,alpha-Methyl cinnamaldehyde,OtherMutliCpd,Compound,C/C(=C/C1=CC=CC=C1)/C=O,VLUMOWNVWOXZAU-CLFYSBASSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
5354998,(Z)-4-Methyl-2-pentenal,OtherMutliCpd,Compound,CC(C)/C=C\C=O,RIWPMNBTULNXOH-ARJAWSKDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated aldehydes,Enals,none,none,none,none
5355018,"(2Z)-3-(2H-1	3-BENZODIOXOL-5-YL)PROP-2-ENAL",OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)/C=C\C=O,HZUFMSJUNLSDSZ-UPHRSURJSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
5355054,8-Hydroxyadenine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)NC(=O)N2,RGKBRPAAQSHTED-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,none,none,none,none,none,none
5355414,Methyl furfuracrylate,OtherMutliCpd,Compound,COC(=O)/C=C/C1=CC=CO1,PLNJUBIUGVATKW-SNAWJCMRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
5355469,Flavokawain A,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O,CGIBCVBDFUTMPT-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5355858,Linalyl cinnamate,OtherMutliCpd,Compound,CC(=CCCC(C)(C=C)OC(=O)/C=C/C1=CC=CC=C1)C,DPFUEXLIKDHJNB-BUHFOSPRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5355902,(Z)-3-methyl-4-phenylbut-3-en-2-one,OtherMutliCpd,Compound,C/C(=C/C1=CC=CC=C1)/C(=O)C,BQJFBHBDOAIIGS-HJWRWDBZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
5356112,Cardanol,OtherMutliCpd,Compound,C=CC/C=C/C/C=C/CCCCCCCC1=CC(=CC=C1)O,JOLVYUIAMRUBRK-AOSYACOCSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
5356113,Cardanol diene,OtherMutliCpd,Compound,CCC/C=C/C/C=C/CCCCCCCC1=CC(=CC=C1)O,FAYVLNWNMNHXGA-AOSYACOCSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
5356121,Flavokawain b,OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O,QKQLSQLKXBHUSO-CMDGGOBGSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5356194,Herclavine,OtherMutliCpd,Compound,CN(CCC1=CC=C(C=C1)OC)C(=O)/C=C/C2=CC=CC=C2,VANLAWLPWTVXIB-JLHYYAGUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,none,Cinnamic acids and derivatives,none,none,none,none,none,none
5356526,Gossypurpurin,OtherMutliCpd,Compound,CC1=C(C(=C\2C(=C1)C(=C(C(=O)/C2=C\N)O)C(C)C)O)C3=C(C=C4C5=C3OC6=C7C8=C(C(=C(C=C8C(=C(C7=O)O)C(C)C)C)C9=C(C=C1C(=C9O)C(=C(C(=C1C(C)C)O)O)C=O)C)OC(=C5C(=O)C(=C4C(C)C)O)N6)C,MSMUWZLRSRWDLT-LJUMEUDFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5357153,Cyclohexyl cinnamate,OtherMutliCpd,Compound,C1CCC(CC1)OC(=O)/C=C/C2=CC=CC=C2,GCFAUZGWPDYAJN-VAWYXSNFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5357283,Methyl ferulate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)OC)O,AUJXJFHANFIVKH-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5357345,Heliannone A,OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)OC,RURQJVCNVGERHF-WEVVVXLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5357354,Pheophorbide b,OtherMutliCpd,Compound,CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C=O)N2)N6)C=C)C)C)CCC(=O)O)C4=N3)C(=O)OC)C,AQJZOYUAIGQOPF-UFPZPJHESA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5357710,"Ethyl 3-cyano-3-(3	4-dimethylphenyl)-2-hydroxyacrylate",OtherMutliCpd,Compound,CCOC(=O)/C(=C(/C#N)\C1=CC(=C(C=C1)C)C)/O,RGXNMCKUDPGCJB-OUKQBFOZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
5358377,"4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2	3-dihydrofuro[2	3-g]isochromen-5-one",OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C=C(OC(=O)C3=C2O)CO)O,UPJSJELJVQLOME-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isocoumarins and derivatives,none,Isocoumarins and derivatives,none,none,none,none,none,none
5358385,MLS000563058,OtherMutliCpd,Compound,C1=C2C(=CC(=C1O)O)OC3=CC(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O,AEDDIBAIWPIIBD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5358913,ST024712,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O,LFEUICHQZGNOHD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
5358951,Roquefortine,OtherMutliCpd,Compound,CC(C)(C=C)C12CC3C(=O)N/C(=C\C4=CN=CN4)/C(=O)N3C1NC5=CC=CC=C25,SPWSUFUPTSJWNG-SXGWCWSVSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyrroloindoles,Pyrroloindoles,none,none,none,none,none,none
5359476,sulfasalazine,Drug,Compound,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=CC(=O)C(=C3)C(=O)O,OQANPHBRHBJGNZ-BKUYFWCQSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonamides,Benzenesulfonamides,none,none,none,none,none,none
5359485,Alternariol,OtherMutliCpd,Compound,CC1=CC(=CC2=C1C3=CC(=CC(=C3C(=O)O2)O)O)O,CEBXXEKPIIDJHL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5360373,Bleomicina,Drug,Compound,CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O,OYVAGSVQBOHSSS-WXFSZRTFSA-O,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid glycopeptides,none,none,none,none,none,none
5360696,dextromethorphan,OtherMutliCpd,Compound,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,MKXZASYAUGDDCJ-NJAFHUGGSA-N,Organic compounds,Alkaloids and derivatives,Morphinans,none,Morphinans,none,none,none,none,none,none
5361092,butorphanol,Drug,Compound,C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,IFKLAQQSCNILHL-QHAWAJNXSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,none,Phenanthrenes and derivatives,none,none,none,none,none,none
5362032,Bonuten,Drug,Compound,CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O,GBXSMTUPTTWBMN-UAGQMJEPSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5362118,Lisinopril dihydrate,Drug,Compound,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O,CZRQXSDBMCMPNJ-ZUIPZQNBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5362119,lisinopril,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O,RLAWWYSOJDYHDC-BZSNNMDCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5362123,BENAZEPRIL HYDROCHLORIDE,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl,VPSRQEHTHIMDQM-FKLPMGAJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5362129,ramipril,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O,HDACQVRGBOVJII-JBDAPHQKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5362420,Visudyne,Drug,Compound,CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C,YTZALCGQUPRCGW-ZSFNYQMMSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5362440,indinavir,Drug,Compound,CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5,CBVCZFGXHXORBI-PXQQMZJSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
5362521,Pigment Blue 63,OtherMutliCpd,Compound,C1=CC2=C(C=C1S(=O)(=O)O)C(=O)/C(=C\3/C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)/N2.[Al+3],KKHVNJFMNFIZLB-IERUDJENSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
5362561,3-(Hydroxymethyl)heptan-2-one,OtherMutliCpd,Compound,CCCCC(CO)C(=O)C,MHOXVRWQBOAOAU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5362566,"4	6	9-Trimethyl-3	5	8	10-tetraoxadodecane",OtherMutliCpd,Compound,CCOC(C)OCC(C)OC(C)OCC,TZVJNJVDGXFMCF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Acetals,none,none,none,none,none,none
5362570,1-Hydroxynonan-3-one,OtherMutliCpd,Compound,CCCCCCC(=O)CCO,KCTDZLVBGWXNSQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5362572,67860-38-2,OtherMutliCpd,Compound,CC1=NC=CC(=N1)C(=O)C,ZADBZWAGUOHTAB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
5362581,Ethyl methyl-p-tolylglycidate,OtherMutliCpd,Compound,CCOC(=O)C1C(O1)(C)C2=CC=C(C=C2)C,RJQNJKOCFCXTHZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
5362585,Glyceryl behenate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,OKMWKBLSFKFYGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
5362593,5-Decenoic acid,OtherMutliCpd,Compound,CCCC/C=C/CCCC(=O)O,UJUXUEKQHBXUEM-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5362594,6-Decenoic acid,OtherMutliCpd,Compound,CCC/C=C/CCCCC(=O)O,IZOFWCYKCWUJBY-SNAWJCMRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5362595,Menthoxypropanediol,OtherMutliCpd,Compound,CC1CCC(C(C1)OCC(CO)O)C(C)C,MDVYIGJINBYKOM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
5362620,cis-4-Decenal,OtherMutliCpd,Compound,CCCCC/C=C\CCC=O,CWRKZMLUDFBPAO-SREVYHEPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5362689,42482-06-4,OtherMutliCpd,Compound,CCCCC/C=C/CC1CC(=O)OC1=O,WSGFXVFLWVXTCJ-VOTSOKGWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
5362697,2-Butyloct-2-enal,OtherMutliCpd,Compound,CCCCC/C=C(/CCCC)\C=O,LYGMPIZYNJGJKP-BENRWUELSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5362720,cis-6-Nonenal,OtherMutliCpd,Compound,CC/C=C\CCCCC=O,RTNPCOBSXBGDMO-ARJAWSKDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5362770,AC1NSGFP,OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CC(CC2(C)C)O)C)\C)\C)/C)/C,JKQXZKUSFCKOGQ-DKLMTRRASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5362814,cis-4-Heptenal,OtherMutliCpd,Compound,CC/C=C\CCC=O,VVGOCOMZRGWHPI-ARJAWSKDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5363185,Severin,OtherMutliCpd,Compound,C/C(=C\COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)/C(CC3C(O3)(C)C)O,QQKKFVXSQXUHPI-NBVRZTHBSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,none,none,none,none,none,none
5363700,3-hydroxy-beta-ionone,OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)/C=C/C(=O)C,HFRZSVYKDDZRQY-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5363817,alpha-Ionol,OtherMutliCpd,Compound,CC1=CCCC(C1/C=C/C(C)O)(C)C,PWDOJWCZWKWKSE-BQYQJAHWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5363896,4-Methyl-2-phenyl-2-pentenal,OtherMutliCpd,Compound,CC(C)/C=C(\C=O)/C1=CC=CC=C1,ULRYRAHIBWLZKC-XYOKQWHBSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
5364072,Morellinol,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C4=CC5CC6C4(O2)C(C5=O)(OC6(C)C)C/C=C(\C)/CO)C,UWZMGTSPGQXAAP-VCHYOVAHSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
5364231,cis-3-Hexenyl lactate,OtherMutliCpd,Compound,CC/C=C\CCOC(=O)C(C)O,NNLLMULULOBXBY-PLNGDYQASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
5364566,AC1NSJUL,OtherMutliCpd,Compound,CCC(/C=C/C(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)C(C)C,DZUAZCZFSVNHEF-CMDGGOBGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5365589,cis-4-Hexen-1-ol,OtherMutliCpd,Compound,C/C=C\CCCO,VTIODUHBZHNXFP-IHWYPQMZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5365676,2-Monolinolein,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,IEPGNWMPIFDNSD-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5365959,(E)-8-Methyl-6-nonenoic acid,OtherMutliCpd,Compound,CC(C)/C=C/CCCCC(=O)O,OCALSPDXYQHUHA-FNORWQNLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5366074,Damascenone,OtherMutliCpd,Compound,C/C=C/C(=O)C1=C(C=CCC1(C)C)C,POIARNZEYGURDG-FNORWQNLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Enones,none,none,none,none
5367536,cis-4-Hepten-1-ol,OtherMutliCpd,Compound,CC/C=C\CCCO,CUKAXHVLXKIPKF-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5367698,cis-3-Hexenyl phenylacetate,OtherMutliCpd,Compound,CC/C=C\CCOC(=O)CC1=CC=CC=C1,FJKFIIYSBXHBCT-ARJAWSKDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
5367706,cis-3-Hexenyl benzoate,OtherMutliCpd,Compound,CC/C=C\CCOC(=O)C1=CC=CC=C1,BCOXBEHFBZOJJZ-ARJAWSKDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
5367769,"(6E)-9-(furan-3-yl)-2	6-dimethylnona-2	6-dien-4-one",OtherMutliCpd,Compound,CC(=CC(=O)C/C(=C/CCC1=COC=C1)/C)C,UFGQHNWFUWHNSS-WLRTZDKTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
5368342,Benzyl 2-methyl-2-butenoate,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)OCC1=CC=CC=C1,QRGSTISKDZCDHV-KMKOMSMNSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
5368427,6-Phenylhex-3-en-2-one,OtherMutliCpd,Compound,CC(=O)/C=C/CCC1=CC=CC=C1,PHEPHOADHFLZJS-FNORWQNLSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
5368743,"Bergamotol	 Z-.alpha.-trans-",OtherMutliCpd,Compound,CC1=CCC2CC1C2(C)CC/C=C(/C)\CO,JGINTSAQGRHGMG-WZUFQYTHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
5369459,Phenethyl cinnamate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC=CC=C2,MJQVZIANGRDJBT-VAWYXSNFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
5369956,2-(1-Pentenyl)furan,OtherMutliCpd,Compound,CCC/C=C/C1=CC=CO1,LKSYSJTUBQSZBS-GQCTYLIASA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
5370599,Cinnamyl phenylacetate,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(=O)OC/C=C/C2=CC=CC=C2,SFXQCOMMEMBETJ-KPKJPENVSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
5370602,5-Methyl-2-phenyl-2-hexenal,OtherMutliCpd,Compound,CC(C)C/C=C(/C=O)\C1=CC=CC=C1,YURDCJXYOLERLO-LCYFTJDESA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
5370618,1-Pentenylbenzene,OtherMutliCpd,Compound,CCC/C=C/C1=CC=CC=C1,KHMYONNPZWOTKW-VMPITWQZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
5370648,Indoleacrylic glycine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)NCC(=O)O,DUIFVCFSAWHIOD-AATRIKPKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
5370730,2-Methyl-3-(1-propenyl)pyrazine,OtherMutliCpd,Compound,C/C=C/C1=NC=CN=C1C,ZCGRXTTWRNXLQZ-ONEGZZNKSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5370825,1-Propenylpyrazine,OtherMutliCpd,Compound,C/C=C/C1=NC=CN=C1,ZBHYPERRXYKXGT-NSCUHMNNSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5371723,Amyl cinnamic acetate,OtherMutliCpd,Compound,CCCCC/C(=C/C1=CC=CC=C1)/COC(=O)C,CMJSVJIGLBDCME-VBKFSLOCSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
5371802,(E)-3-(p-Tolyl)acrylaldehyde,OtherMutliCpd,Compound,CC1=CC=C(C=C1)/C=C/C=O,DKOUYOVAEBQFHU-NSCUHMNNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
5371945,2-methyl-6-(1-propenyl)pyrazine,OtherMutliCpd,Compound,C/C=C/C1=CN=CC(=N1)C,NOBVHXZAVPKZQU-ONEGZZNKSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5371946,2-methyl-5-(1-propenyl)pyrazine,OtherMutliCpd,Compound,C/C=C/C1=CN=C(C=N1)C,KFZIJPOISUVMAW-ONEGZZNKSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5371955,"2	5-Dimethyl-3-(1-propenyl)pyrazine",OtherMutliCpd,Compound,C/C=C/C1=NC(=CN=C1C)C,UPGLIDCBHZSEJE-SNAWJCMRSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5371957,AC1NSXGO,OtherMutliCpd,Compound,C/C=C/C1=NC=C(N=C1C)C,NDDMVJXHROIJBV-SNAWJCMRSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5372162,retrofractamide B,OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2,RPOYGOULCHMVBB-ADDDGJNWSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
5372312,"5-methyl-2-[(2E	6E)-3	7	11-trimethyldodeca-2	6	10-trienyl]benzene-1	3-diol",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O,PZHNKNRPGLTZPO-VZRGJMDUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5372353,cis-3-Hexenyl anthranilate,OtherMutliCpd,Compound,CC/C=C\CCOC(=O)C1=CC=CC=C1N,VZWCCPAVZNSCEO-ARJAWSKDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
5372945,p-coumaroyltyramine,OtherMutliCpd,Compound,C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC=C(C=C2)O)O,RXGUTQNKCXHALN-BJMVGYQFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5372953,AC1NSZAU,OtherMutliCpd,Compound,C/C=C/C1=CN=C(C(=N1)C)C,BNYRAFHQRSHWGQ-SNAWJCMRSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
5372954,cis-Cinnamic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C\C(=O)O,WBYWAXJHAXSJNI-SREVYHEPSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acids,Cinnamic acids,none,none,none,none,none,none
5373710,1-(m-Methoxycinnamoyl)pyrrolidine,OtherMutliCpd,Compound,COC1=CC=CC(=C1)/C=C/C(=O)N2CCCC2,LAPTWLCIZWFMJK-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5373729,beta-Ionol,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(C)O,CNOPDZWOYFOHGN-BQYQJAHWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5373780,UNII-2Z3552U0OY,OtherMutliCpd,Compound,CC(C)C(=O)/C=C/C1=CC=C(C=C1)OC,ZIXVMEYRFPMOAV-RMKNXTFCSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
5374527,beta-Damascone,OtherMutliCpd,Compound,C/C=C/C(=O)C1=C(CCCC1(C)C)C,BGTBFNDXYDYBEY-FNORWQNLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Enones,none,none,none,none
5374604,4-Hydroxy-2-methoxycinnamaldehyde,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)/C=C/C=O,MRCGVXARHKOYKU-NSCUHMNNSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
5375083,(S)-Zearalenone,OtherMutliCpd,Compound,CC1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O,MBMQEIFVQACCCH-XVNBXDOJSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,Zearalenones,Zearalenones,none,none,none,none,none,none
5375166,Suberenol,OtherMutliCpd,Compound,CC(C)(/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O,LNFVZUMSDAIQDQ-VOTSOKGWSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5375200,ABSCISIC ACID,OtherMutliCpd,Compound,CC1=CC(=O)CC(C1(/C=C/C(=C/C(=O)O)/C)O)(C)C,JLIDBLDQVAYHNE-WEYXYWBQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Abscisic acids and derivatives,none,none,none,none,none,none
5375648,Wampetin,OtherMutliCpd,Compound,CC1=CC(OC1=O)C/C(=C\COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)/C,XVVBVBKVMMNZHB-XGICHPGQSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
5375662,ST057582,OtherMutliCpd,Compound,C/C(=C\CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)/CO,GOSWTRUMMSCNCW-KRXBUXKQSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
5376014,UNII-17CTW03UJP,OtherMutliCpd,Compound,C1=CC=C(C=C1)NN/C=C/2\C=CC=CC2=O,AWSLIWUMMSIZFW-ZHACJKMWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylhydrazines,Phenylhydrazines,none,none,none,none,none,none
5376051,Acutilobin,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C,AGABNGOXUSXQDD-WZUFQYTHSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
5376325,Mutatoxanthin,OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C2C=C3C(CC(CC3(O2)C)O)(C)C)/C)/C,IFYMEZNJCAQUME-OMSIYMKDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5376350,Cryptoflavin,OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C2C=C3C(CCCC3(O2)C)(C)C)/C)/C,WEJIOGMJJWSQFC-NNAJIMERSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
5376484,1-Hydroxy-10-methyl-9(10H)-acridinone,OtherMutliCpd,Compound,CN1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31,NHYDBJFGZCQFEO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5377043,Thamnosin,OtherMutliCpd,Compound,CC1=CC(C(CC1)(C)/C=C/C2=C(C=C3C(=C2)C=CC(=O)O3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC,SWGAQLQAABDHGT-ZRDIBKRKSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5377381,"5	7-Dihydroxyisoflavone",OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O,PJJGZPJJTHBVMX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5377412,NSC681019,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C3=C(C=C(C=C31)OC)O,OCUBFJMZYYIVBO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5377569,"3-(1	1-Dimethylallyl)scopoletin",OtherMutliCpd,Compound,CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)O)OC,NEUWPSXOYGGGFO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5377686,Flazin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O,USBWYUYKHHILLZ-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
5377847,AC1NTBVG,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O,FKIYLTVJPDLUDL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5377945,6-methoxykaempferol,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O,OGQSUSFDBWGFFJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5378220,Farnisin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O,QAGGICSUEVNSGH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
5378244,Fisetin 4'-methyl ether,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O,QVYSSMFEUBQBEU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5378562,AC1NTD62,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O,WKUHPOMCLBLCOV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5378818,AC1NTDM7,OtherMutliCpd,Compound,CC/C=C(/CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)\C(C)C,LVMOSMRIAUDGQC-UYOCIXKTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5378819,"(5alpha	24(28)Z)-Stigmast-24(28)-en-3-one",OtherMutliCpd,Compound,C/C=C(/CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)\C(C)C,ARTLJRSXUMKHFS-YXSASFKJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5379096,Jaceosidin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)O,GLAAQZFBFGEBPS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5379265,"5	7-Dihydroxy-3'	4'	5'-trimethoxyflavone",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,CPCPHNWWTJLXKQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
5379591,AC1NTEVM,OtherMutliCpd,Compound,CCC(/C=C/C(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C,OQMZNAMGEHIHNN-CMDGGOBGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5380976,7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one,OtherMutliCpd,Compound,CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3,BBCDTCKKROIGAB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5382105,Luteolin-8-C-glucoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O,PLAPMLGJVGLZOV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
5385029,NSC375095,OtherMutliCpd,Compound,CCC1CC(C(/C=C/C=C/CC(OC(=O)CC(C(C1OC2C(C(CC(O2)C)(C(=O)C)O)O)OC)O)C)O)C,IZFPDEQYDFAJRK-CDKJVOIVSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,none,Macrolides and analogues,none,none,none,none,none,none
5385498,Sorbitan monooleate,OtherMutliCpd,Compound,CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O,NWGKJDSIEKMTRX-MDZDMXLPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
5385553,Cosmosiine,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O,KMOUJOKENFFTPU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5385554,Methyl phaeophorbide,OtherMutliCpd,Compound,CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC)C4=N3)C(=O)OC)C,BDUAKLHVCJVMNM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5386447,Orcein,OtherMutliCpd,Compound,CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O,VPEASJIRGSVXBF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
5386531,"(E)-4-(3	4	5-Trimethoxystyryl)phenol",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC=C(C=C2)O,PGNACKMMQGBVTN-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
5387194,Irisone B,OtherMutliCpd,Compound,C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=CC=C4O)O,ITRQVDOUFMSYII-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5387599,Suillin,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1O)O)OC(=O)C)/C)/C)/C)C,TVYGOMSIBBSIKO-MLAGYPMBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
5388319,NSC634720,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C2=CC(=CC3=C2C(C(O3)C4=CC=C(C=C4)O)C5=CC(=CC6=C5C(C(O6)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O)O)O,RKFYYCKIHVEWHX-DAFODLJHSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5388696,3-(4-methoxyphenyl)-2-methylprop-2-enal,OtherMutliCpd,Compound,C/C(=C\C1=CC=C(C=C1)OC)/C=O,BNBBFUJNMYQYLA-VQHVLOKHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
5388781,Anacardic acid C15:3,OtherMutliCpd,Compound,C=CC/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O,QUVGEKPNSCFQIR-AOSYACOCSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
5388856,NSC639689,OtherMutliCpd,Compound,C1C2=CC=CC=C2N(C1=O)NC=C3C=CC(=O)C=C3,MLBDBVYGMFJLSY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
5388961,Enalapril maleate,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O,OYFJQPXVCSSHAI-QFPUQLAESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5389314,SMR000041930,OtherMutliCpd,Compound,CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN(C)C)C4=CC=CC=C4OC)/O,SPIHLWIPOAMLOR-GYHWCHFESA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
5389372,SMR000042460,OtherMutliCpd,Compound,CC1CCCCN1C2=N/C(=C/3\C=CC=C(C3=O)OC)/NC4=CC=CC=C42,KTIOABYZDCQABV-CAPFRKAQSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,Quinazolinamines,none,none,none,none,none
5412913,"2H-1-Benzopyran-2-one	 7-hydroxy-6-methyl-",OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C=CC(=O)O2)O,QWQWBHZHRMHXOC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5458181,nikkomycin z,OtherMutliCpd,Compound,C[C@@H]([C@H](C1=NC=C(C=C1)O)O)[C@H](C(=O)N[C@H]([C@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N,WWJFFVUVFNBJTN-MLOKMKBISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5458213,Rifampicin,Drug,Compound,C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,FZYOVNIOYYPUPY-UXKYPCFPSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,none,Macrolactams,none,none,none,none,none,none
5458461,ARTOCARPIN,OtherMutliCpd,Compound,CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC,KRGDFVQWQJIMEK-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
5458878,N-Feruloyltryptamine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C=C/C3=CC=C(C=C3)O,CDMGLLBADMBULG-JXMROGBWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5458879,p-coumaroylserotonin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O,WLZPAFGVOWCVMG-FPYGCLRLSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,N-acylserotonins,none,none,none,none,none
5458955,NSC407321,OtherMutliCpd,Compound,CCC1=C2C=C3C(=C(C(=CC4=NC5=C(C(C(=O)C5=C4C)C(=O)OC)C6=NC(=CC(=C1C)N2)C(C6CCC(=O)OC)C)N3)CC)C=O,ATGWBOWMZVPOGA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5459010,NSC603831,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O,FBSKJMQYURKNSU-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5459192,NSC641258,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O,WRXVPTMENPZUIZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5459217,17306-46-6,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O,RPMNUQRUHXIGHK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5459241,Narceine imide,OtherMutliCpd,Compound,CN(C)CCC1=CC2=C(C(=C1/C=C\3/C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OC)OCO2,FNVOXTXQQPJYRS-WJDWOHSUSA-N,Organic compounds,Organoheterocyclic compounds,Isoindoles and derivatives,Isoindolines,Isoindolones,none,none,none,none,none,none
5459377,"1	2-Dimyristoyl-sn-glycero-3-phosphocholine",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,CITHEXJVPOWHKC-UUWRZZSWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
5459387,Pheophytin a,OtherMutliCpd,Compound,CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C,DQVGVYRSVYCJRR-AXRVZGOCSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5459767,(-)-Menthyl O-beta-D-glucoside,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C)C,GZSDZJZIZBGBON-NZZARTGWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Terpene glycosides,none,none,none,none,none,none
5459822,(R)-3-Amino-2-methylpropanoic acid,OtherMutliCpd,Compound,C[C@H](CN)C(=O)O,QCHPKSFMDHPSNR-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
5459823,Morphinone,OtherMutliCpd,Compound,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C=C4,PFBSOANQDDTNGJ-YNHQPCIGSA-N,Organic compounds,Alkaloids and derivatives,Morphinans,none,Morphinans,none,none,none,none,none,none
5459911,bilirubin diglucuronide,OtherMutliCpd,Compound,CC1=C(NC(=C1CCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CC3=C(C(=C(N3)/C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)/C=C/6\C(=C(C(=O)N6)C=C)C,SCJLWMXOOYZBTH-SDXZDYKGSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
5460032,L-Erythrulose,OtherMutliCpd,Compound,C([C@@H](C(=O)CO)O)O,UQPHVQVXLPRNCX-VKHMYHEASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
5460037,Isomaltotri-itol,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O,FZWBNHMXJMCXLU-BLAUPYHCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
5460044,L-Iditol,OtherMutliCpd,Compound,C([C@@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O,FBPFZTCFMRRESA-UNTFVMJOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
5460048,Triformin,OtherMutliCpd,Compound,C(C(COC=O)OC=O)OC=O,UFTFJSFQGQCHQW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
5460078,4-Hydroxy-L-glutamate,OtherMutliCpd,Compound,C([C@@H](C(=O)[O-])N)C(C(=O)[O-])O,HBDWQSHEVMSFGY-SCQFTWEKSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
5460135,No_auto_id,Drug,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],FDJOLVPMNUYSCM-WZHZPDAFSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
5460362,D-alanyl-D-alanine,OtherMutliCpd,Compound,C[C@H](C(=O)N[C@H](C)C(=O)O)N,DEFJQIDDEAULHB-QWWZWVQMSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5460373,Cyanokit,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],DQOCFCZRZOAIBN-WZHZPDAFSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
5460495,3-acetamidopropanal,OtherMutliCpd,Compound,CC(=O)NCCC=O,ARJPPNFIEQKVBB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
5460656,gibberellin 28,OtherMutliCpd,Compound,C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)C(=O)O)O)C(=O)O,YPZCOEDTKIYBEB-ZVBXRXONSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 20-carboxylic acids,none,none,none,none
5460677,Ribonic acid,OtherMutliCpd,Compound,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)O,QXKAIJAYHKCRRA-BXXZVTAOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
5460935,Turanose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O,RULSWEULPANCDV-PIXUTMIVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
5462164,AC1NUW5Y,OtherMutliCpd,Compound,CCCCC/C=C/C/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,YECLLIMZHNYFCK-MVKOLZDDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
5462190,acireductone,OtherMutliCpd,Compound,CSCCC(=O)/C(=C/O)/O,CILXJJLQPTUUSS-XQRVVYSFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Alpha-branched alpha--beta-unsaturated ketones,none,none,none,none
5462193,AC1NUW6V,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O,JPUKWEQWGBDDQB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5462199,glutaconyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CC(=O)O)O,URTLOTISFJPPOU-HWKANZROSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,2-enoyl CoAs,none,none,none,none,none
5462212,trans-D-Decenoyl-CoA,OtherMutliCpd,Compound,CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MGNBGCRQQFMNBM-ZHACJKMWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
5462214,3-Methylglutaconyl-CoA,OtherMutliCpd,Compound,C/C(=C\C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)/CC(=O)O,GXKSHRDAHFLWPN-NTEUORMPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
5462226,No_auto_id,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],NSLAUEAQDBERRV-FDIVSSHPSA-M,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
5462232,No_auto_id,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+3],YOZNUFWCRFCGIH-LEYWJKRPSA-M,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
5462245,No_auto_id,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3],FDJOLVPMNUYSCM-LEYWJKRPSA-M,none,none,none,none,none,none,none,none,none,none,none
5462259,(2S)-2-Isopropyl-3-oxosuccinate,OtherMutliCpd,Compound,CC(C)[C@@H](C(=O)C(=O)O)C(=O)O,HIIZAGQWABAMRR-BYPYZUCNSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
5462261,3-isopropylmalate,OtherMutliCpd,Compound,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,RNQHMTFBUSSBJQ-CRCLSJGQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
5462303,(S)-Methylmalonate semialdehyde,OtherMutliCpd,Compound,C[C@@H](C=O)C(=O)O,VOKUMXABRRXHAR-VKHMYHEASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,none,none,none,none,none,none
5462516,Telithromycin,Drug,Compound,CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C,LJVAJPDWBABPEJ-KMPMGEDVSA-N,none,none,none,none,none,none,none,none,none,none,none
5462726,Isouroporphyrin (ii) octamethyl ester,OtherMutliCpd,Compound,COC(=O)CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CCC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC)C(=O)OC,JXFYRPWVBHUVFB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
5463156,2-HYDROXY-3-METHOXYCINNAMIC ACID,OtherMutliCpd,Compound,COC1=CC=CC(=C1O)/C=C/C(=O)O,VZFPHVWLPRCAGD-AATRIKPKSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
5463307,Methyl phaeophorbide-b,OtherMutliCpd,Compound,CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C=O)N2)N6)C=C)C)C)CCC(=O)OC)C4=N3)C(=O)OC)C,XBDVHFBAQCBYJU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5463840,"Benzaldehyde	 cyclic acetal with 1	2	3-propanetriol",OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C(/C(CO)O)\O,FSDPQZPRLPFVLK-TWGQIWQCSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
5463896,Iron octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)[O-].[Fe],KNMWLFKLSYMSBR-UHFFFAOYSA-M,none,none,none,none,none,none,none,none,none,none,none
5463903,aluminum; dodecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)[O-].[Al],XUUXWPNPMKZWIF-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5463905,3-Benzyl-4-heptanone,OtherMutliCpd,Compound,CCCC(=O)C(CC)CC1=CC=CC=C1,CGTCWTIGDNJZOX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
5463908,7774-79-0,OtherMutliCpd,Compound,CC1=CC=C(C=C1)CCC(=O)C,BUIRDOGDCJQFDA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
5463910,"2	6-Dimethyloctanal",OtherMutliCpd,Compound,CCC(C)CCCC(C)C=O,CBOBADCVMLMQRW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5463914,Nonyl isovalerate,OtherMutliCpd,Compound,CCCCCCCCCOC(=O)CC(C)C,JHKZVDVMXZGMOX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
5463935,Ethyl 4-(methylthio)butyrate,OtherMutliCpd,Compound,CCOC(=O)CCCSC,QNLREUZIHJHXRK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
5463937,aluminum; decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)[O-].[Al],GWTAKERFZOXARV-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
5463946,UNII-C09PCM2QXX,OtherMutliCpd,Compound,CCCC/C(=C\C)/C=O,RAPHJZMCZKGDSB-XBXARRHUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5463954,"2	3-dihydroxypropyl 5-hydroxydecanoate",OtherMutliCpd,Compound,CCCCCC(CCCC(=O)OCC(CO)O)O,ILJDYMFZBMWGGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
5464078,gamma-Mangostin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)O)CC=C(C)C)O)C,VEZXFTKZUMARDU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5464170,Irigenin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O,TUGWPJJTQNLKCL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
5464368,Punicalin,OtherMutliCpd,Compound,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O,IQHIEHIKNWLKFB-ITTSEVFZSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5464461,Jaceidin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC)O,XUWTZJRCCPNNJR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5464499,Polygalacin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O,JUIYKRQGQJORHH-BDAFLREQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5465152,NSC641259,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(CO6)(CO)O)O)O)O)O)O)O,PXDYLXHBUIPSMK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5465153,NSC641260,OtherMutliCpd,Compound,C1C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)(CO)O,MNBRHJWOHPGQIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5465516,Xanthone 4,OtherMutliCpd,Compound,CC(=CCCC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(O3)C(=CC=C4)O)C)C,LVANTWLBTIEHSX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
5465778,NSC661203,OtherMutliCpd,Compound,CC1(COC2C1OC3=CC(=C4C(=C23)N(C5=CC=CC=C5C4=O)C)O)O,SWALXCKAJQTSAC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5466139,"7	8	4'-Trihydroxyisoflavone",OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O,BMZFZTMWBCFKSS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5466141,NSC678115,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O)O,QMMUPEDRUCMYIY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5467027,NSC646967,OtherMutliCpd,Compound,C/C=C\1/CN(CC(=C1)OC)CCC2=CNC3=CC=CC=C32,JDKRTNPJAGESMP-LZWSPWQCSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
5467200,"2	3-dehydrosilybin",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,BVKQRAYKLBRNIK-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Flavonolignans,none,Flavonolignans,none,none,none,none,none,none
5467341,Peltatol A,OtherMutliCpd,Compound,CC(=CCC/C(=C/CCC(C1=CC(=C(C(=C1)C2=CC(=CC(=C2O)O)C(C=C)(CC/C=C(/CCC=C(C)C)\C)C)O)O)(C=C)C)/C)C,FBBLBOYXADGJGC-RWRHWQIFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5467342,Peltatol B,OtherMutliCpd,Compound,CC(=CCC/C(=C/CCC(C)(C=C)C1=CC(=C(C=C1)O)OC2=CC(=CC(=C2O)O)C(C)(CC/C=C(\C)/CCC=C(C)C)C=C)/C)C,SRYUFQNDYPIUQF-NXQGAYFCSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
5467343,Peltatol C,OtherMutliCpd,Compound,CC(=CCC/C(=C/CCC(C)(C=C)C1=CC(=C(C=C1)OC2=CC(=CC(=C2O)O)C(C)(CC/C=C(\C)/CCC=C(C)C)C=C)O)/C)C,IIXXCYMHCAOUOF-NXQGAYFCSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
5467798,NSC659322,OtherMutliCpd,Compound,C1=CC=NC(=C1)/C(=C/C2=CC(=CC(=C2)F)F)/C#N,USVLQUDAUIUTEV-VZUCSPMQSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Halobenzenes,Fluorobenzenes,none,none,none,none,none,none
5469424,Demethoxycurcumin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,HJTVQHVGMGKONQ-LUZURFALSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
5469426,NSC687844,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)O)O,FFRFJIZJLZXEJX-YPCIICBESA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
5469634,111047-30-4,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,MBYNDKVOZOAOIS-FPLPWBNLSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
5470299,D-Chicoric acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O[C@H](C(=O)O)[C@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O,YDDGKXBLOXEEMN-QFZCZCNSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
5471458,NSC711466,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC=CC=C2)OC,PJIOBHFHQZPYOX-MDWZMJQESA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid amides,Cinnamic acid amides,none,none,none,none,none,none
5472642,AC1NV8AE,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)/C=C/C2=CC(=CC3=C2[C@@]4(C(OC5=CC(=CC(=C54)O)O)C6=CC(=CC=C6)O)C(=O)O3)O)O,KHGBPZCKVUBCGO-FMWPOBPCSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5472643,AC1NV8AF,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C2[C@]3(C4=C(C=C(C=C4/C=C/C5=CC=C(C=C5)O)O)OC3=O)C6=C(C=C(C=C6O2)O)O,KGEBEOHZPNIDOO-LEZGXDNXSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5472644,AC1NV8AG,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)C2[C@@]3(C4=C(C=C(C=C4/C=C/C5=CC=C(C=C5)O)O)OC3=O)C6=C(C=C(C=C6O2)O)O,KGEBEOHZPNIDOO-ZDGBBOEGSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
5473445,642-59-1,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C/3\C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O,IPVTTYAHKXZGCQ-ZBJSNUHESA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthalene sulfonic acids and derivatives,Naphthalene sulfonates,1-naphthalene sulfonates,none,none,none,none,none
5473446,"7-Hydroxy-8-((4-sulphonaphthyl)azo)naphthalene-1	3-disulphonic acid",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C\3/C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O,KBXPFAMZTAAOQS-XDOYNYLZSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthalene sulfonic acids and derivatives,Naphthalene sulfonates,1-naphthalene sulfonates,none,none,none,none,none
5473468,AC1NV8P2,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O,RENVROUZTKMVRM-CAPFRKAQSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthalenecarboxylic acids and derivatives,Naphthalenecarboxylic acids,none,none,none,none,none,none
5474791,22-deoxocucurbitacin D,OtherMutliCpd,Compound,CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C/C=C/C(C)(C)O)O)O)C)C,IJFYQSUPMMVTOA-FMIVXFBMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
5474792,22-Deoxoisocucurbitacin D,OtherMutliCpd,Compound,CC1(C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C/C=C/C(C)(C)O)O)O)C)C)C)O)C,LTAMPOZNZZLEID-FMIVXFBMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
5476010,NSC175295,OtherMutliCpd,Compound,C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4,YIRBVYWXBGXDBH-HTXNQAPBSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
5476629,Xanthochymol,OtherMutliCpd,Compound,CC(=CCC1CC2(C(=O)/C(=C(\C3=CC(=C(C=C3)O)O)/O)/C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CCC(=C)C)C(=C)C)C,TZZQZCIACNYHBG-MVJHLKBCSA-N,none,none,none,none,none,none,none,none,none,none,none
5478003,Apocarotenal,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C,DFMMVLFMMAQXHZ-DOKBYWHISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5478028,NSC376681,OtherMutliCpd,Compound,C/C/1=C/C(CC(=C)C(CC(CC1)C(C)(C)O)O)OC(=O)C,WAGDOKQHNWIHJF-FLIBITNWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
5478892,4-(3-pyridyl)-3-butenoic acid,OtherMutliCpd,Compound,C1=CC(=CN=C1)/C=C/CC(=O)O,MHVJWSPYMHAALE-HNQUOIGGSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,none,Pyridines and derivatives,none,none,none,none,none,none
5479529,cefuroxime,Drug,Compound,CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,JFPVXVDWJQMJEE-IZRZKJBUSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,Cephalosporin 3'-carbamates,none,none,none,none
5480299,"1	5-Dihydroxyxanthone",OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)OC3=C(C2=O)C(=CC=C3)O,APIPFXZYOMIJQG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5481173,ceftazidime,Drug,Compound,CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],ORFOPKXBNMVMKC-DWVKKRMSSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
5481350,Tenofovir disoproxil,Drug,Compound,C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,JFVZFKDSXNQEJW-CQSZACIVSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,6-aminopurines,none,none,none,none,none,none
5481663,Narcissoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O,UIDGLYUNOUKLBM-GEBJFKNCSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5481948,Semilicoisoflavone B,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C,LWZACZCRAUQSLH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
5481958,Mulberrin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)O)C,UWQYBLOHTQWSQD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
5481961,Albanin A,OtherMutliCpd,Compound,CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O)C,KEIIIPKLVSSAEI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
5481962,Artonin E,OtherMutliCpd,Compound,CC(=CCC1=C(OC2=C3C=CC(OC3=CC(=C2C1=O)O)(C)C)C4=CC(=C(C=C4O)O)O)C,HDHRTQZSBFUBMJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
5481964,Licoflavonol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O)C,TVMHBSODLWMMMV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
5481966,Gancaonin P,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O)C,OCIIFJFJVOTFTN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
5481968,Morusinol,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C(=C(O3)C4=C(C=C(C=C4)O)O)CCC(C)(C)O)C,AFOKZNPZDXHDHD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
5481969,Cyclomorusin,OtherMutliCpd,Compound,CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C5C=CC(OC5=CC(=C4C2=O)O)(C)C)C,GDQXJMLXEYSICD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
5481970,Norartocarpetin,OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,ZSYPIPFQOQGYHH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
5483640,Ascorbate radical,OtherMutliCpd,Compound,C([C@@H]([C@@H]1C(=O)C(=C(O1)[O])O)O)O,LHFJOBMTAJJOTB-JLAZNSOCSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
5484727,trandolapril,Drug,Compound,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O,VXFJYXUZANRPDJ-WTNASJBWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
5485204,Phaseolotoxin A,OtherMutliCpd,Compound,C[C@H](C(=O)N[C@H](CCCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCCNP(=O)(N)NS(=O)(=O)O)N,QDAOSMKOZCCWLJ-LNIFREGASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5486173,CCRIS 3210,OtherMutliCpd,Compound,COC1=C2C(=C3C4CCOC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,RHGQIWVTIHZRLI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
5486176,Fumonisin A1,OtherMutliCpd,Compound,CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@@H](C[C@H]([C@@H](C)NC(=O)C)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,ADACAMXIRQREOB-XUJMDKETSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Fumonisins,Fumonisins,none,none,none,none,none,none
5486185,Demethylsterigmatocystin,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)O,RQQOEIJLJPCYJR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
5486528,CCRIS 3230,OtherMutliCpd,Compound,C1COC2C1C3=C4C(=C(C=C3O2)O)C(=O)C5=C(O4)C=CC=C5O,WUSMTEDKVPWFDN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
5486615,Cannabiscitrin,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O,ZJYAVUPWMNHHEU-GFOOFYSOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5486699,Troxerutin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O,IYVFNTXFRYQLRP-VVSTWUKXSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5486900,Isogravacridonchlorine,OtherMutliCpd,Compound,CC(CCl)(C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C)O,PGOOUZZLZBIMRI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5486971,Pregabalin,Drug,Compound,CC(C)C[C@@H](CC(=O)O)CN,AYXYPKUFHZROOJ-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
5487248,CHEMBL567077,OtherMutliCpd,Compound,CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O,JSEPSLOCPQODTM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isocoumarins and derivatives,none,Isocoumarins and derivatives,none,none,none,none,none,none
5487301,C16H23N5O,Drug,Compound,CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)CO,URPUECXJHQGUDU-JLHYYAGUSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
5487342,Camellianin B,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=C4C(=CC(=C3)O)OC(=CC4=O)C5=CC=C(C=C5)O)CO)O)O)O,LRFDUPNLCDXZOE-ZLDQKHMLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5487343,Camellianin A,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=C4C(=CC(=C3)O)OC(=CC4=O)C5=CC=C(C=C5)O)COC(=O)C)O)O)O,RHJULGLSOARXMO-YXRGHUGASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5487591,Citracridone-I,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C,DIDVBISMWJGFOF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5487635,Quercetin 3-sambubioside,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O,NKFZLEYLWAFYEH-CJNLAGEVSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5487671,Trifoliol,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC3=C2C(=O)OC4=C3C=CC(=C4)O)O,YFVNQUXNYCREJW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5487766,Persicarin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O,CZFNXFXZXWDYMZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Sulfated flavonoids,3-sulfated flavonoids,none,none,none,none,none,none
5487770,Apigenin 7-O-(6-O-malonylglucoside),OtherMutliCpd,Compound,C1=CC(=C[CH]C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC(=O)CC(=O)O)O,ULRLGMUACGKIGP-VKIKYZBHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
5487772,Citrusinine I,OtherMutliCpd,Compound,CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC,UTEAJHNFBCLZHN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5487855,Dillenetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC,MHALJYZRPGYQSI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5487897,Dianhydroaurasperone C,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)OC)O)C(=O)C=C(O5)C)O,NIYWIZVIKTZNQP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
5488120,BRN 5581827,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=CO4)C(=O)O,LTTIWDNLMMLJOI-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
5488152,"4H-1-Benzopyran-4-one	 2-(3	4-dimethoxyphenyl)-3	5	8-trihydroxy-7-methoxy-",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)O)O)OC,WQQCLPYPEXSIFI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5488186,urolithin A,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O,RIUPLDUFZCXCHM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5488283,AC1NUQEC,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O,JPUKWEQWGBDDQB-HBDJNLTOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5488537,72393-03-4,OtherMutliCpd,Compound,CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C(=C(C7=C6C5=C3C8=C7C(=C(C(=C8C2=O)O)C9CCCCN9)O)O)C1CCCCN1)O)O,ROFJUMITFMRBRF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Pyrenes,Benzopyrenes,Benzopyrenes,none,none,none,none,none,none
5488542,"4H-1-Benzopyran-4-one	 7-((O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3	4-dihydroxyphenyl)-3	5-dihydroxy-",OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,HIEKMCGJSNLAGG-MTKPOXERSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5488563,71339-45-2,OtherMutliCpd,Compound,COC(=O)C(C1=C(OC2=C(C1=O)C(=CC=C2)O)C=C)C(=O)OC,CJFIRBOMWZKLHJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
5488592,AC1NUQOQ,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,JMWIRXQFQXREAB-BGARTESOSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
5488619,CHEMBL444191,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O,UWIQWJHBYRTKAL-KQOASZHBSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5488650,Wairol,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC3=C2C(=O)OC4=C3C=CC(=C4)O)OC,GYNHMEBOILXPQT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5488660,78214-15-0,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)O/C(=C\C=C/C=C3C=CC(=O)C=C3)/N2,MHLCZFBEHIXJSV-CZWHOCMUSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,none,Benzoxazines,none,none,none,none,none,none
5488716,Clovin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O,BFCXCFJUDBNEMU-QPIZCGMOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5488723,Melitin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C7=CC=C(C=C7)O)O)C)O)O)O)O,OVHQWOXKMOVDJP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5488808,"1-Hydroxy-3	7-dimethoxyxanthone",OtherMutliCpd,Compound,COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC,FWBPZAVSTQBRKT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5488811,AC1NUQWS,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,IPVSUYLZIAYTOK-DPOJTEBASA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
5488886,Vitexin rhamnoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O,ZIIBNXKQZAUBRD-VVZHCWMZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5488923,Primapterin,OtherMutliCpd,Compound,CC(C(C1=CN=C2C(=N1)NC(=NC2=O)N)O)O,LNXRKRFGNHXANN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Pterins and derivatives,none,none,none,none,none,none
5489007,Norophthalamic acid,OtherMutliCpd,Compound,C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,RPVCUZZJCXVVDW-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5489042,Pyropheophorbide a,OtherMutliCpd,Compound,CCC1=C2C=C3C(=C4C(=O)CC(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)O)C4=N3)C,RZECWDZMTHMQDD-UWJYYQICSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Chlorins,Chlorins,none,none,none,none,none,none
5489389,Typhaneoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O,POMAQDQEVHXLGT-QQVXUORWSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5489470,Kaempferol-3-O-glucosyl(1-2)rhamnoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,BCNBWICEIXAVQF-DLVIKRKZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5489485,Limocitrin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O,IBXCKSUZOFKGSB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5489487,Mammein,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O,LYJWLIYDNZREPC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5489488,Protohypericin,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C3=C4C5=CC(=CC(=C5C(=O)C6=C(C=C(C(=C46)C7=C3C(=C(C=C7O)O)C2=O)O)O)O)C)O,YLILOANQCQKPOD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Perylenequinones,none,Perylenequinones,none,none,none,none,none,none
5489501,Caryatin,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O,AOFQCVDYMNHCKD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,5-O-methylated flavonoids,none,none,none,none,none,none
5490884,Garcinol,OtherMutliCpd,Compound,CC(=CC[C@@H]1C[C@@]2(C(=O)/C(=C(/C3=CC(=C(C=C3)O)O)\O)/C(=O)[C@@](C2=O)(C1(C)C)CC=C(C)C)C[C@H](CC=C(C)C)C(=C)C)C,DTTONLKLWRTCAB-UDFURZHRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
5491385,Flavoyadorinin A,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O,NULDUMWEBSEHPR-LNNZMUSMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5491388,21794-66-1,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,HDPSXKXQSOVYLL-PQSJUMPYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5491408,Myricetin 3-galactoside,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O,FOHXFLPXBUAOJM-MGMURXEASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5491604,Linocinamarin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,VMOKZQAQPBUNRW-PXJYGDGDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-8-O-glycosides,none,none,none,none,none
5491630,Isorhamnetin 3-glucuronide,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,VVZWHOMBDMMRSC-NTKSAMNMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-3-O-glucuronides,none,none,none,none
5491643,"2-(3	4-dimethoxyphenyl)-7-hydroxy-5	6-dimethoxychromen-4-one",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)OC)OC,QZNYGJAJWILZLF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
5491648,"1	3	9-Trihydroxycoumestan",OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=CC(=C43)O)O,WIRRQLQRDSREEG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5491657,Quercetin 3-neohesperidoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O,FYBMGZSDYDNBFX-GXPPAHCZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5491693,52222-74-9,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,AUCGRWHWAGXNQS-HMGRVEAOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
5491771,Kuwanon K,OtherMutliCpd,Compound,CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)C5=C(C(=O)C6=C(C=C(C=C6O5)O)O)CC=C(C)C)O,FEAIYAOTVUYWQZ-AIQWNVMPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
5491778,89915-54-8,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C(=C5)OC)O)OC)O)C(=O)O)O)O)O)O)O,CFWKEIXHBVWGIW-SNCHYJEASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
5491798,GNAPHALIIN B,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)OC,CILMBWBPHLLNEH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
5491816,"3	4'-Di-O-methylellagic acid",OtherMutliCpd,Compound,COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)O,SUBZWRYOAOVYOC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
5492231,Tulipanin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O,PLKUTZNSKRWCCA-LTSKFBHWSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
5492235,2-O-(Glucopyranosyluronic acid)xylose,OtherMutliCpd,Compound,C([C@H]([C@@H]([C@H](C=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O,CXXAVRBGWUSLRR-MHNDCQGXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
5492482,Quercetin 3-glucosyl(1-3)rhamnosyl(1-6)galactoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O,XEFNBVWDOQCMSG-GJHFDJSNSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5493381,Deferasirox,Drug,Compound,C1=C/C(=C/2\N/C(=C\3/C=CC=CC3=O)/N(N2)C4=CC=C(C=C4)C(=O)O)/C(=O)C=C1,FMSOAWSKCWYLBB-VBGLAJCLSA-N,none,none,none,none,none,none,none,none,none,none,none
5493444,Aliskiren,Drug,Compound,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,UXOWGYHJODZGMF-QORCZRPOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Delta amino acids and derivatives,none,none,none,none,none
5493675,"1	3	6-trihydroxy-5-methoxyxanthone",OtherMutliCpd,Compound,COC1=C(C=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O,OIDDYVZHNYQRKQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
5494824,Grandisine III,OtherMutliCpd,Compound,CN1C2=CC(=CC(=C2C(=O)C3=C1C(=C(C=C3)O)OC)O)O,QNXGBYOUHGRJCI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5494827,Citpressine I,OtherMutliCpd,Compound,CN1C2=CC(=CC(=C2C(=O)C3=C1C(=C(C=C3)O)OC)O)OC,OQMSMWRXIZYYNR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5494828,AC1NUVSX,OtherMutliCpd,Compound,CN1C2=CC(=CC(=C2C(=O)C3=C1C(=C(C=C3)OC)OC)O)OC,CHCYJKZBXNSGCG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
5494866,isowighteone,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C,SWDSVBNAMCDHTF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5495925,beta-Mangostin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)OC)C,YRKKJHJIWCRNCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5495926,GARCINONE D,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CCC(C)(C)O)O)C,TYALNCRUIKOKGP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5495927,Mangostenol,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1OC)O)OC3=CC(=C(C(=C3C2=O)O)CC(C(=C)C)O)O)C,ATOPEAUOJODWMN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5495928,garcinone B,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C4C=CC(OC4=C(C=C3O2)O)(C)C)O)C,HVXHJNVYRXRHNX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
5495929,9-Hydroxycalabaxanthone,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1OC)O)OC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C,HQWHKELJHUFLGD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
5497123,13(S)-HpOTrE,OtherMutliCpd,Compound,CC/C=C\C[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,UYQGVDXDXBAABN-FQSPHKRJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
5497148,Dinor-oxo-phytodienoic acid,OtherMutliCpd,Compound,CC/C=C\CC1C(C=CC1=O)CCCCCC(=O)O,SZVNKXCDJUBPQO-HYXAFXHYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5497181,adrenic acid,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O,TWSWSIQAPQLDBP-DOFZRALJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5497182,Clupanodonic acid,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O,YUFFSWGQGVEMMI-JLNKQSITSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
5702609,2-trans-abscisic acid,OtherMutliCpd,Compound,CC1=CC(=O)CC([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C,JLIDBLDQVAYHNE-IBPUIESWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Abscisic acids and derivatives,none,none,none,none,none,none
5705112,Cinnamyl benzoate,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2,UARVBDPGNUHYQT-JXMROGBWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
5705403,573-89-7,OtherMutliCpd,Compound,C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=C(C=C3)S(=O)(=O)O,VCNKRNUCSFJFQP-VLGSPTGOSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
5708783,"6-Phenylhexa-3	5-dien-2-one",OtherMutliCpd,Compound,CC(=O)/C=C/C=C/C1=CC=CC=C1,PRNUCJKOERXADE-YLNKAEQOSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
5716900,"(9R	13R)-1a	1b-dihomo-jasmonic acid",OtherMutliCpd,Compound,CC/C=C\C[C@@H]1[C@@H](CCC1=O)CCCC(=O)O,LVQJNKFFJNUFNY-OPVGQWETSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
5716901,OPC 6,OtherMutliCpd,Compound,CC/C=C\C[C@@H]1[C@@H](CCC1=O)CCCCCC(=O)O,WIJWBOWLVOOYFR-BDSSXFGHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
5716903,Bonannione A,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)O)/C)C,XYIQIBWIEGCVQY-RWHUQTJRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,6-prenylated flavans,6-prenylated flavanones,none,none,none,none,none
5742590,Daucosterol,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C,NPJICTMALKLTFW-OFUAXYCQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
5746354,"2	3-Dehydrokievitone",OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)O)C,RWDSADRZXTYPMY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5748359,Kempferol-3-O-arabinofuranoside-7-O-rhamnopyranoside,OtherMutliCpd,Compound,C[C@@H](C1[C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)C5=CC=C(C=C5)O)O)O)O)O,POYDZVHXYJSOOS-FTDJKWOKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5748461,k-Xyl-rha-glu,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O,MVXYVHBRCFDZCJ-IRIIMWQRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5748473,Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O,ZOSYTGZBPSTVGJ-HHYFVRIJSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5748528,Isomammein,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O,VXFHCMCZMKQIMR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
5748546,Asperxanthon,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)OC,ARXPDHLVDOYIPX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,Naphthopyranones,Naphthopyranones,none,none,none,none,none,none
5748551,Isoprunetin,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)OC=C(C2=O)C3=CC=C(C=C3)O,YSINCDVRUMTOPK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
5748555,Mammea A/BA,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O,SBHOAZQBEGVQLJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
5748556,5252-40-4,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)OC,PKLPURDVDNBFCI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5748586,Lucernol,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O,CJPXZAMCIOOMNF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
5789754,C24 Ceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O,ZJVVOYPTFQEGPH-MHAUTQJVSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
5791138,4-[(Z)-prop-1-enyl]phenol,OtherMutliCpd,Compound,C/C=C\C1=CC=C(C=C1)O,UMFCIIBZHQXRCJ-IHWYPQMZSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
5795125,I-Urobilin,OtherMutliCpd,Compound,CCC1=C(C(=O)NC1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C,KDCCOOGTVSRCHX-MBTHVWNTSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
5798639,2425-85-6,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)N/N=C/2\C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],ATXLALDFCMZNHY-ZPHPHTNESA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
5803241,NSC657357,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=N/C(=C\C5=CC=C(C=C5)O)/C4=O)C6=CC=CC=C6,PVFYZPXAJJHLJN-XHPQRKPJSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
5803450,alpha-Methylanisalacetone,OtherMutliCpd,Compound,CCC(=O)/C=C/C1=CC=C(C=C1)OC,SLDQOBRACOQXGE-QPJJXVBHSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
5809667,Solvent red 23,OtherMutliCpd,Compound,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N/N=C/3\C(=O)C=CC4=CC=CC=C43,HTPQPMPFXUWUOT-SRURNFRUSA-N,Organic compounds,Organoheterocyclic compounds,Azobenzenes,none,Azobenzenes,none,none,none,none,none,none
5813154,ubiquinol-6,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,DYOSCPIQEYRQEO-LPHQIWJTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,2-polyprenyl-6-methoxyphenols,none,none,none,none,none,none
5830135,ALBANIN F,OtherMutliCpd,Compound,CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O,APPXYONGBIXGRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
5840046,apiin,OtherMutliCpd,Compound,C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O,NTDLXWMIWOECHG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5851813,"2'	5'-dihydroxychalcone",OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)O)O,PZVRZRARFZZBCA-SOFGYWHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
5853596,2-(Phenylmethylene)hexanal,OtherMutliCpd,Compound,CCCC/C(=C/C1=CC=CC=C1)/C=O,GFBCBQNBXRPRQD-RAXLEYEMSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
5855402,AC1NYHKT,OtherMutliCpd,Compound,CC(C)C1C(C(=O)NC(C(=O)N/C=C\C2=CC=C(O1)C=C2)CC3=CNC4=CC=CC=C43)NC(=O)C(C(C)C)NC,SBDJWBSJRCPRDV-PFONDFGASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
5856141,6''-Malonylcosmosiin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O,JXWAQRJFONLTSI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
5860263,AC1NYN6X,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O,SKOCCRDVSSOREC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5874476,AC1NZ3OB,OtherMutliCpd,Compound,CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)O)CO)C)C)O)O,DGIGXLXLGBAJJN-BUHFOSPRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
5892299,UNII-4D11GWS2D2,OtherMutliCpd,Compound,CC(C)C/C=C(\C=O)/C(C)C,IOLQAHFPDADCHJ-UXBLZVDNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
5901757,Dactylin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O,VKVBSQRURLRCHO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
5909347,Quebrachidine,OtherMutliCpd,Compound,C/C=C\1/CN2C3CC1C4(C2CC5(C3NC6=CC=CC=C65)C4O)C(=O)OC,RLUORQGMBKDXPO-JYOAFUTRSA-N,Organic compounds,Alkaloids and derivatives,Corynanthean-type alkaloids,none,Corynanthean-type alkaloids,none,none,none,none,none,none
5918036,NSC642608,OtherMutliCpd,Compound,CC(C)(C)NNC(=O)/C(=C\C1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)/NC(=O)C3=CC=CC=C3,VEVTZLKZIRAXMS-HZHRSRAPSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Diphenylethers,none,none,none,none,none,none
5918474,prunitrin,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O,OFUWGCQDMVDLIR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
5951616,Masticadienonic acid,OtherMutliCpd,Compound,CC(CC/C=C(\C)/C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C,VOYZLKWKVLYJHD-KEBDBYFISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
5964600,5964600,OtherMutliCpd,Compound,C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC(C(C)(C)O)O,QYYKWTUUCOTGNS-JLHYYAGUSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
5969616,Moschamine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O,WGHKJYWENWLOMY-XVNBXDOJSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,N-acylserotonins,none,none,none,none,none
6026790,Diacylglycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC,YEJYLHKQOBOSCP-ISLYRVAYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
6028462,Angelaldehyde,OtherMutliCpd,Compound,C/C=C(/C)\C=O,ACWQBUSCFPJUPN-HYXAFXHYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated aldehydes,Enals,none,none,none,none
6063386,6-Hydroxygenistein,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=C(C(=C3C2=O)O)O)O)O,HDXSEWOOSVMREY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
6076971,2-benzylideneheptan-1-ol,OtherMutliCpd,Compound,CCCCC/C(=C/C1=CC=CC=C1)/CO,LIPHCKNQPJXUQF-KAMYIIQDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
6079438,2-Octenedioic acid,OtherMutliCpd,Compound,C(CCC(=O)O)C/C=C/C(=O)O,BNTPVRGYUHJFHN-HWKANZROSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
6093231,DIRECT BLUE 6,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC=C(C=C2)N/N=C\3/C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C/5\C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],HOPRIFATEWRIEO-XGZFOCIOSA-J,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
6093232,Orange Yellow S,OtherMutliCpd,Compound,C1=CC(=CC=C1N/N=C/2\C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],TXVRKNUZLYFDTJ-DDVLFWKVSA-L,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
6093299,Allura red AC dye,OtherMutliCpd,Compound,CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N/N=C/2\C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+],POXPUHKJGLHZEM-VIPPSAFOSA-L,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
6101730,D-Tagatose 1-phosphate,OtherMutliCpd,Compound,C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O,ZKLLSNQJRLJIGT-PQLUHFTBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
6115728,Palmitelaidoyl-CoA,OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,QBYOCCWNZAOZTL-MDZDMXLPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
6123196,AC1O1K6P,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/2\C(=O)C3=C(C=C(C=C3O2)O)O)O)O,WBEFUVAYFSOUEA-YIXHJXPBSA-N,Organic compounds,Phenylpropanoids and polyketides,Aurone flavonoids,none,Aurone flavonoids,none,none,none,none,none,none
6124135,1-o-caffeoylglucose,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O,WQSDYZZEIBAPIN-DUXPYHPUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Hydroxycinnamic acid glycosides,none,none,none,none,none
6124136,Dattelic acid,OtherMutliCpd,Compound,C1C(C(C(C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O,QMPHZIPNNJOWQI-DUXPYHPUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6124299,Caffeoylmalic Acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)OC(CC(=O)O)C(=O)O)O)O,PMKQSEYPLQIEAY-DUXPYHPUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6138419,AC1O1ZK2,OtherMutliCpd,Compound,CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O,DKBPTKFKCCNXNH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
6148082,Glucocaffeic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O,OHEYCHKLBCPRLZ-DUXPYHPUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6161490,13-Octadecenoic acid,OtherMutliCpd,Compound,CCCC/C=C/CCCCCCCCCCCC(=O)O,BDLLSHRIFPDGQB-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
6178836,Theaflavic acid,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C(=O)O)O)O)O)O,SDSXQESYQIRNNR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
6184351,AC1O1XC5,OtherMutliCpd,Compound,C1=C(OC(=C1)[N+](=O)[O-])/C=N\NC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-],XXUXXCZCUGIGPP-ACAGNQJTSA-N,Organic compounds,Benzenoids,Phenols,Nitrophenols,Dinitrophenols,none,none,none,none,none,none
6210220,2-Methyl-3-(2-furyl)propenal,OtherMutliCpd,Compound,C/C(=C\C1=CC=CO1)/C=O,ZNBXZUKDRRRQJK-FNORWQNLSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
6223069,Keioside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O,UIDGLYUNOUKLBM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
6232217,Tetrahydrofurfuryl cinnamate,OtherMutliCpd,Compound,C1CC(OC1)COC(=O)/C=C/C2=CC=CC=C2,QCMSQCLNALBZOD-CMDGGOBGSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
6259976,3-PROPYLIDENEPHTHALIDE,OtherMutliCpd,Compound,CC/C=C/1\C2=CC=CC=C2C(=O)O1,NGSZDVVHIGAMOJ-BJMVGYQFSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Isobenzofuranones,none,none,none,none,none,none
6266665,SCHEMBL18534404,OtherMutliCpd,Compound,C1CC(=O)C2=C1C3=C(C=C4C(=C3OC2=O)C5C=COC5O4)O,NRCXNPKDOMYPPJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
6275271,AC1O3CEN,OtherMutliCpd,Compound,C1=CC=C(C(=C1)/C=C/C(=O)O)OC2C(C(C(C(O2)CO)O)O)O,GVRIYIMNJGULCZ-AATRIKPKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6275871,6''-Malonylapiin,OtherMutliCpd,Compound,C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)COC(=O)CC(=O)O)O)O)O)(CO)O,JNAHTYWPEQLJRT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
6276321,D-Urobilin,OtherMutliCpd,Compound,CCC1=C(C(=O)NC1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C,DOKCNDVEPDZOJQ-MBTHVWNTSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
6284401,CINNAMALDEHYDE ETHYLENE GLYCOL ACETAL,OtherMutliCpd,Compound,C1COC(O1)/C=C/C2=CC=CC=C2,JQLASNFFJHGQTK-VOTSOKGWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
6290103,FLAVONE DERIV,OtherMutliCpd,Compound,C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC=C(C=C5)O,PLORCKNHUZJPKH-XCVCLJGOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
6293081,Flavokawain C,OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O,UXUFMIJZNYXWDX-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
6305574,Ferulic acid 4-sulfate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)O)OS(=O)(=O)O,PZPATWACAAOHTJ-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6321405,Isoborneol,OtherMutliCpd,Compound,C[C@@]12CC[C@@H](C1(C)C)C[C@H]2O,DTGKSKDOIYIVQL-MRTMQBJTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
6323490,RIFABUTIN,Drug,Compound,C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)/C,ATEBXHFBFRCZMA-VXTBVIBXSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,none,Macrolactams,none,none,none,none,none,none
6323497,RIFAPENTINE,Drug,Compound,C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,RISDZDVHYCURHD-QLWTZYDESA-N,none,none,none,none,none,none,none,none,none,none,none
6324770,ulfate (2:1),OtherMutliCpd,Compound,C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O,XHJKHSXHWJCBLX-AAEUAGOBSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids,none,none,none,none,none,none
6324898,AC1O44L5,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=CC(=CC(=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O)O,ZESJTWVSXGZYTD-FBEISHDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
6325210,AC1O3DBL,OtherMutliCpd,Compound,CC(=CCC[C@@](C)(C1CC[C@@]2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)C,UEBIBJSWHIZNCA-AFOIITJRSA-N,none,none,none,none,none,none,none,none,none,none,none
6325457,No_auto_id,OtherMutliCpd,Compound,CC1C2C(CC3[C@@]2(CCC4C3CCC5[C@@]4(CC[C@@H](C5)N)C)C)OC1(CC[C@@H](C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O,YEWUMIMAJWFDQG-UTNSFCQUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
6325548,AC1O3DL6,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4C3(CC[C@@]5(C4CC([C@H](C5)O)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O,CEMJRABGGWOEJQ-WHCXSEIWSA-N,none,none,none,none,none,none,none,none,none,none,none
6325576,AC1O3DM4,OtherMutliCpd,Compound,CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C,TVWNWTCNFUZDDJ-HBIKTYAUSA-N,none,none,none,none,none,none,none,none,none,none,none
6325654,AC1O3DOL,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)CCCCC3=CC(=O)C4=CC=CC=C4N3,WVIITJBBQPBPEB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
6326067,AC1O3E1J,OtherMutliCpd,Compound,C[C@@]12CCC3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C1CC(C[C@H]2O)(C)C)C,WFRQIKSNAYYUJZ-LTLZSFJNSA-N,none,none,none,none,none,none,none,none,none,none,none
6326201,No_auto_id,OtherMutliCpd,Compound,CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)C)C)CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O,AALVUUMVCUHIRJ-QLADEKFDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
6326220,AC1O3E6U,OtherMutliCpd,Compound,CC1CC2=C(CCC3C2(CCC(C3(C)C)OC(=O)C)C)[C@]4(C1(C(C(=O)C4)[C@@H](CCC=C(C)C)C(=O)O)C)C,PVCVEWPCBZFEKN-HYLPBBCWSA-N,none,none,none,none,none,none,none,none,none,none,none
6326776,"(2S)-2	3-dihydroxypropanoic acid",OtherMutliCpd,Compound,C([C@@H](C(=O)O)O)O,RBNPOMFGQQGHHO-REOHCLBHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
6335412,BALSALAZIDE,Drug,Compound,C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C\2/C=CC(=O)C(=C2)C(=O)O,KONZVQJABTUMFX-NDENLUEZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
6337614,Palonosetron,Drug,Compound,C1C[C@@H]2CN(C(=O)C3=C2C(=CC=C3)C1)[C@@H]4CN5CCC4CC5,CPZBLNMUGSZIPR-NVXWUHKLSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Isoquinolones and derivatives,Isoquinolones and derivatives,none,none,none,none,none,none
6365140,9-Pentadecenoic acid,OtherMutliCpd,Compound,CCCCC/C=C/CCCCCCCC(=O)O,DJCQJZKZUCHHAL-VOTSOKGWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
6372196,C18 Ceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O,VODZWWMEJITOND-OWWNRXNESA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
6374435,NSC672987,OtherMutliCpd,Compound,C/C=C(\C)/C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C,QSXNOUPYXMWUKT-IZZDOVSWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eremophilane-- 8--9-secoeremophilane and furoeremophilane sesquiterpenoids,none,none,none,none,none,none
6378927,UNII-7H6D0LNE70,OtherMutliCpd,Compound,CCCCC/C(=C/C1=CC=CC=C1)/C(OC)OC,QCHZKUPVENJLAW-SQFISAMPSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
6384256,"beta	beta-carotene-3-ol",OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CC(CC2(C)C)O)C)/C)/C,DMASLKHVQRHNES-QQGJMDNJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
6398538,Cyclolinopeptide F,OtherMutliCpd,Compound,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCS(=O)C)C(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCS(=O)C,OPPHXUQOVAMNAS-AEEQZTKLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6398539,Cyclolinopeptide G,OtherMutliCpd,Compound,CCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCS(=O)C)CC(C)C)CCS(=O)C,MGTCVHJATWUGDT-VAFFMOIVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6398540,Cyclolinopeptide H,OtherMutliCpd,Compound,CCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCSC)CC(C)C)CCS(=O)C,RGLVOQUKDGQVGR-OHQPZZPYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6398963,3-Sulfinopyruvate,OtherMutliCpd,Compound,C(C(=O)C(=O)O)S(=O)[O-],JXYLQEMXCAAMOL-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Alpha-keto acids and derivatives,Alpha-keto acids and derivatives,none,none,none,none,none,none
6419701,1-palmitoyl-sn-glycerol 3-phosphate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,YNDYKPRNFWPPFU-GOSISDBHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Monoacylglycerophosphates,Lysophosphatidic acids,1-acylglycerol-3-phosphates,none,none,none,none
6419835,(-)-Catechin gallate,OtherMutliCpd,Compound,C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,LSHVYAFMTMFKBA-CTNGQTDRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
6420999,56915-02-7,OtherMutliCpd,Compound,C/C=C/C(=O)C1=C(CC(CC1(C)C)O)C,UPRXEFYRIACHQZ-AATRIKPKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Enones,none,none,none,none
6421366,AC1O4XGV,OtherMutliCpd,Compound,CCOC(=O)NC(CCC(=O)NC(CSC(=O)OCC)C(=O)NC(C)C(=O)OC)C(=O)OC,UDRYUGOSMFSUDH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6424827,(S)-Spirobrassinin,OtherMutliCpd,Compound,CSC1=NCC2(S1)C3=CC=CC=C3NC2=O,FUHQSEOSBHASCH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
6426851,Isovalerylcarnitine,OtherMutliCpd,Compound,CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,IGQBPDJNUXPEMT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
6426853,Hexanoylcarnitine,OtherMutliCpd,Compound,CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,VVPRQWTYSNDTEA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
6426901,2-Methylbutyroylcarnitine,OtherMutliCpd,Compound,CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C,IHCPDBBYTYJYIL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
6427003,H-ASP-LYS-OH,OtherMutliCpd,Compound,C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N,OAMLVOVXNKILLQ-BQBZGAKWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
6427100,cis-p-2-Menthen-1-ol,OtherMutliCpd,Compound,CC(C)(C)[C@H]1CC[C@H](C=C1)O,NGXNAIZTJAUMGV-BDAKNGLRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
6427285,20-Isocholesterol acetate,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C,XUGISPSHIFXEHZ-JUTJDYIZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
6427485,Cedroxide,OtherMutliCpd,Compound,C[C@@H]1CCC2[C@]13CC[C@@]4([C@H](C3)[C@H]2CO4)C,XTUCGACHIRHVPO-UOHALXPSSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
6428138,"2	3-Dihydro-1H-pyrrolizine-5-carbaldehyde",OtherMutliCpd,Compound,C1CC2=CC=C(N2C1)C=O,XDRGCZAFSAFSLR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6428423,Cadinol,OtherMutliCpd,Compound,CC1=CC2[C@@H](CC[C@@](C2CC1)(C)O)C(C)C,LHYHMMRYTDARSZ-VXGQWTEUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
6428433,Selin-11-en-4-ol,OtherMutliCpd,Compound,CC(=C)C1CCC2(CCC[C@@](C2C1)(C)O)C,DPQYOKVMVCQHMY-MLGYPOCJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
6428458,Methyl cis-cinnamate,OtherMutliCpd,Compound,COC(=O)/C=C\C1=CC=CC=C1,CCRCUPLGCSFEDV-FPLPWBNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
6428543,3-hydroxyoctan-2-one,OtherMutliCpd,Compound,CCCCCC(C(=O)C)O,QWEHQNZGVUHHME-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
6428570,"1	5-octadien-3-ol",OtherMutliCpd,Compound,CC/C=C/CC(C=C)O,APFBWMGEGSELQP-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
6428785,"2-HYDROXY-3	4	4-TRIMETHYLCYCLOPENT-2-ENONE",OtherMutliCpd,Compound,CC1=C(C(=O)CC1(C)C)O,LTRJTLUJZFBIEN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
6428844,"5-propionyl-2	3-dihydro-1H-pyrrolizine",OtherMutliCpd,Compound,CCC(=O)C1=CC=C2N1CCC2,WOCOJSXECLIQIX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6428845,"5-acetyl-6-methyl-2	3-dihydro-1H-pyrrolizine",OtherMutliCpd,Compound,CC1=C(N2CCCC2=C1)C(=O)C,FEOYYZKCVVLICI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6428862,"5-acetyl-7-methyl-2	3-dihydro-1H-pyrrolizine",OtherMutliCpd,Compound,CC1=C2CCCN2C(=C1)C(=O)C,GEURXEPGCAPDNA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6428928,Isogeranial,OtherMutliCpd,Compound,CC(=CC/C=C(\C)/CC=O)C,OJLMARCQPSGYNE-UXBLZVDNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Acyclic monoterpenoids,none,none,none,none,none,none
6428929,3-hydroxy-4-phenylbutan-2-one,OtherMutliCpd,Compound,CC(=O)C(CC1=CC=CC=C1)O,QBCUUJGHWFKMDC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
6428938,4-(Methylthio)-2-pentanone,OtherMutliCpd,Compound,CC(CC(=O)C)SC,PNJBGQMNUMZADU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
6428976,"5-(3-hydroxypropionyl)-2	3-dihydro-1H-pyrrolizine",OtherMutliCpd,Compound,C1CC2=CC=C(N2C1)C(=O)CCO,DLLQYHQNPSDCSK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6428995,cis-Cinnamaldehyde,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C\C=O,KJPRLNWUNMBNBZ-DAXSKMNVSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
6429110,"1-(2	3-dihydroxyphenyl)ethanone",OtherMutliCpd,Compound,CC(=O)C1=C(C(=CC=C1)O)O,HEJLFBLJYFSKCE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
6429112,"p-Mentha-1	4-dien-7-al",OtherMutliCpd,Compound,CC(C)C1=CCC(=CC1)C=O,NIBUJHLMVJZODW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic oxides,none,Organic oxides,none,none,none,none,none,none
6429126,55041-87-7,OtherMutliCpd,Compound,CC1=C(N2CCCC2=C1)C=O,NWFQKPJYEJRQRI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6429128,97073-03-5,OtherMutliCpd,Compound,CC1=C2CCCN2C(=C1C)C(=O)C,DFFVSJCTDBAPFY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6429129,"7-acetyl-5-methyl-2	3-dihydro-(1H)-pyrrolizine",OtherMutliCpd,Compound,CC1=CC(=C2N1CCC2)C(=O)C,DJAGDEJXGVMMGJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
6429308,4-mercapto-4-methyl-2-pentanol,OtherMutliCpd,Compound,CC(CC(C)(C)S)O,FDBQLLMYSACLPB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
6429333,2-PHENYL-2-BUTENAL,OtherMutliCpd,Compound,C/C=C(/C=O)\C1=CC=CC=C1,DYAOGZLLMZQVHY-MBXJOHMKSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
6430713,1-methylthio-2-propanone,OtherMutliCpd,Compound,CC(=O)CSC,UKFADLGENFFWHR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
6430738,"cis-limonene 1	2 oxide",OtherMutliCpd,Compound,CCC[C@@H](CCC(C)OC)C(C)C,YQGNBRBNPIBBRC-KIYNQFGBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
6430888,227456-27-1,OtherMutliCpd,Compound,CCC(C(C)CO)S,HABNNYNSJFKZFE-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
6431144,2-ethenyl-3-ethyl-5-methylpyrazine,OtherMutliCpd,Compound,CCC1=NC(=CN=C1C=C)C,YSQNQOKRWIKETP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
6432005,gamma-Eudesmol,OtherMutliCpd,Compound,CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(C)(C)O,WMOPMQRJLLIEJV-IUODEOHRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
6432469,Isomenthone,OtherMutliCpd,Compound,C[C@H]1CC[C@H](C(=O)C1)C(C)C,NFLGAXVYCFJBMK-IUCAKERBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
6432474,(-)-Carvomenthone,OtherMutliCpd,Compound,C[C@H]1CC[C@@H](CC1=O)C(C)C,GCRTVIUGJCJVDD-IUCAKERBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
6432903,Phenethyl 2-methylisocrotonate,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)OCCC1=CC=CC=C1,KVMWYGAYARXPOL-JYOAFUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
6433159,Luteine,OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=CC(CC2(C)C)O)C)/C)/C,KBPHJBAIARWVSC-RTIVXWJOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
6433293,"2	4-dihydroxychalcone",OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)O)O,LKNPFZQVNZFLIC-VQHVLOKHSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
6433417,(2E)-2-Methylbut-2-en-1-ol,OtherMutliCpd,Compound,C/C=C(\C)/CO,NEJDKFPXHQRVMV-HWKANZROSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Primary alcohols,none,none,none,none,none,none
6433453,AC1O5G8G,OtherMutliCpd,Compound,CCCCCCCC/C=C/CCCCCCCCC(=O)OC1C(COC1C(CC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)O,NHWRGRJXHCQOTO-WUOFIQDXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
6433715,4-OCTENOIC ACID,OtherMutliCpd,Compound,CCC/C=C/CCC(=O)O,PFHBCQFBHMBAMC-SNAWJCMRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
6434009,"13	14-Dihydro PGF2a",OtherMutliCpd,Compound,CCCCCC(CCC1C(CC(C1C/C=C/CCCC(=O)O)O)O)O,LLQBSJQTCKVWTD-QPJJXVBHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
6435286,leukotriene D4,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N,YEESKJGWJFYOOK-LDDGIIIKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
6435825,Propyl 2-furanacrylate,OtherMutliCpd,Compound,CCCOC(=O)/C=C\C1=CC=CO1,RRFBKGHLBNBFGL-WAYWQWQTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
6435826,2-Ethyl-3-(2-furyl)acrylaldehyde,OtherMutliCpd,Compound,CC/C(=C\C1=CC=CO1)/C=O,UCPFCQBLYDXPTR-SOFGYWHQSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
6435834,ALPHA-AMYLCINNAMYL FORMATE,OtherMutliCpd,Compound,CCCCC/C(=C/C1=CC=CC=C1)/COC=O,AWNFWGNFOOJDNO-PTNGSMBKSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
6435835,ALPHA-AMYLCINNAMYL ISOVALERATE,OtherMutliCpd,Compound,CCCCC/C(=C/C1=CC=CC=C1)/COC(=O)CC(C)C,RNKTVAMGERKTEZ-JXAWBTAJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
6435837,2-(4-METHYLCYCLOHEX-3-EN-1-YL)PROPAN-2-YL (2E)-3-PHENYLPROP-2-ENOATE,OtherMutliCpd,Compound,CC1=CCC(CC1)C(C)(C)OC(=O)/C=C/C2=CC=CC=C2,CKYQZYGVFMSSKH-SDNWHVSQSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
6435839,Heptyl cinnamate,OtherMutliCpd,Compound,CCCCCCCOC(=O)/C=C/C1=CC=CC=C1,DCXNRXBLAGAHIL-OUKQBFOZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
6435858,Glyceryl lactooleate,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(C)C(=O)O,KOLAFJFESDNVMY-KHPPLWFESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
6435866,2-Methyl-3-pentenoic acid,OtherMutliCpd,Compound,C/C=C/C(C)C(=O)O,NFRJJFMXYKSRPK-ONEGZZNKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
6435876,Spicy acrolein,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C(=C\C2=CC=CO2)/C=O,JPESOGFYFXAURP-XFXZXTDPSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
6436079,13-cis-Retinal,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=O)/C)/C,NCYCYZXNIZJOKI-HWCYFHEPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
6436082,9-cis-Retinal,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=O)\C)/C,NCYCYZXNIZJOKI-MKOSUFFBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
6436143,DBC coenzyme,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3],OAJLVMGLJZXSGX-VCABRDNDSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
6436173,Rifaximin,Drug,Compound,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C,NZCRJKRKKOLAOJ-XRCRFVBUSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,none,Macrolactams,none,none,none,none,none,none
6436232,methylcobalamin,OtherMutliCpd,Compound,[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3],ZFLASALABLFSNM-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
6436246,Columbianadin,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3,JRIBPWOXWIRQOQ-GHAIFCDISA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
6436374,"(Z)-3	7-Dimethylocta-2	6-dienyl phenylacetate",OtherMutliCpd,Compound,CC(=CCC/C(=C\COC(=O)CC1=CC=CC=C1)/C)C,UXAIJXIHZDZMSK-VBKFSLOCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
6436484,Trans-isomyristicin,OtherMutliCpd,Compound,C/C=C/C1=CC2=C(C(=C1)OC)OCO2,DHUZAAUGHUHIDS-ONEGZZNKSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
6436548,23726-94-5,OtherMutliCpd,Compound,C/C=C\C(=O)C1C(=CCCC1(C)C)C,CRIGTVCBMUKRSL-ALCCZGGFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Enones,none,none,none,none
6436620,3-Isobutylidenephthalide,OtherMutliCpd,Compound,CC(C)/C=C/1\C2=CC=CC=C2C(=O)O1,LYSNVWBBICAAMS-YRNVUSSQSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Isobenzofuranones,none,none,none,none,none,none
6436630,Glyceryl monolinoleate,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)O,WECGLUPZRHILCT-GSNKCQISSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
6436721,AC1O5M9M,OtherMutliCpd,Compound,CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/[C@H]2C=C3[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C,IFYMEZNJCAQUME-NDYSPQNUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
6436907,Cholesteryl linolenate,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,FYMCIBHUFSIWCE-WVXFKAQASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
6436908,N-oleoylglycine,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O,HPFXACZRFJDURI-KTKRTIGZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
6437063,4-Oxoretinoic acid,OtherMutliCpd,Compound,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,GGCUJPCCTQNTJF-FRCNGJHJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
6437379,Mucidin,OtherMutliCpd,Compound,C/C(=C/C=C/C1=CC=CC=C1)/C(=C\OC)/C(=O)OC,JSCQSBGXKRTPHZ-SYKZHUKTSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
6437720,Citronellyl cinnamate,OtherMutliCpd,Compound,CC(CCC=C(C)C)CCOC(=O)/C=C/C1=CC=CC=C1,KMXKQELDKDGFRN-OUKQBFOZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
6437841,Isoacitretin,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)C)C)OC,IHUNBGSDBOWDMA-UGOGCBOOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
6438186,Glyceryl erucate,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(CO)CO,TZDOBCZHGBGJLS-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
6438333,plastochromanol 8,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O,PTMZTTPJFDLIOR-HCCCIJMNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
6438344,Glucuronic acid conjugates of bilirubin,OtherMutliCpd,Compound,CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C=C)C)C)CCC(=O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O)C(=O)O)O)O)/C=C\5/C(=C(C(=O)N5)C)C=C,NCZCFMOVDHRJII-VBORGTJOSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
6438368,"1	25-Lactone",OtherMutliCpd,Compound,C[C@H](C[C@H]1C[C@@](C(=O)O1)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C,WMYIVSWWSRCZFA-RWVJFQLJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
6438400,heme O,OtherMutliCpd,Compound,[H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2],FISPASSVCDRERW-BSMVMXCYSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Metallotetrapyrroles,Metalloporphyrins,none,none,none,none,none,none
6438482,Sitoindoside II,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CC[C@H](CC)C(C)C)C)C)O)O)O,MEEONOMPSMYAQO-JXJRCNQOSA-N,none,none,none,none,none,none,none,none,none,none,none
6438503,4-Hydroxyderricin,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C,XDKYBPGIBVMHHB-KPKJPENVSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
6438553,AC1O5PVJ,OtherMutliCpd,Compound,CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O,BYCHRKNAQYPJPR-DAZOONRXSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6438581,Phomopsin A,OtherMutliCpd,Compound,CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](OC3=C(C(=CC(=C3)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)Cl)O)(C)CC)/C,FAFRRYBYQKPKSY-AJSRVUJESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6438582,"Kaempferol-2	4-dicoumaroyl-3-O-glucoside",OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OC2C(OC(C(C2O)OC(=O)/C=C/C3=CC=C(C=C3)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O,FVUOCOCBVMNVGQ-IAGONARPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
6438587,Diacylglycerol(18:0/20:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,NSXLMTYRMFVYNT-IUJDHQGTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
6438629,4-Hydroxyretinoic acid,OtherMutliCpd,Compound,CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,KGUMXGDKXYTTEY-FRCNGJHJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
6438712,Oudemansin,OtherMutliCpd,Compound,C[C@H]([C@H](/C=C/C1=CC=CC=C1)OC)/C(=C\OC)/C(=O)OC,COBDENJOXQSLKO-NKAAJRRHSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
6438919,Salviaflaside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,DSMWJDJWYGMEBO-PRFRQLEPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6438923,PAXX,OtherMutliCpd,Compound,C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)OC2C(C(C(O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)O)O,UGXQOOQUZRUVSS-ZZXKWVIFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
6439006,Ganodermenonol,OtherMutliCpd,Compound,C[C@H](CC/C=C(\C)/CO)[C@@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C,QWFPQDGDUOGOJF-PNDDFUIZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
6439027,Mangiferic acid,OtherMutliCpd,Compound,CC/C=C/CCCC/C=C/CCCCCCCC(=O)O,AWGFYZFANDHELM-SCPMJEMWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
6439048,"(2R	3R	4S	5S	6R)-2-{[(2R	10R	11S	14S	15R	16S)-16-HYDROXY-2	6	6	10	11-PENTAMETHYL-14-[(2Z)-6-METHYLHEPTA-2	5-DIEN-2-YL]TETRACYCLO[8.7.0.0(2)	?.0(1)(1)	(1)?]HEPTADECAN-5-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3	4	5-TRIOL",OtherMutliCpd,Compound,CC(=CC/C=C(/C)\[C@H]1CC[C@]2([C@@H]1[C@H](CC3[C@]2(CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)C,PHLXREOMFNVWOH-WJJFPOJFSA-N,none,none,none,none,none,none,none,none,none,none,none
6439208,Majoroside F6,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CC4C(C[C@@H](C5[C@@]4(CC[C@@H]5[C@](C)(C/C=C/C(C)(C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7(C3C(C(CC7)O)(C)C)C)CO)O)O)O)O)O,YZQKYCBDJBBTDZ-WFTANQRUSA-N,none,none,none,none,none,none,none,none,none,none,none
6439252,"(2S	3R	4R	5R	6S)-2-{[(2R	3R	4S	5S	6R)-2-{[(2R	8R	11R	14S	15S	16S)-6-ETHYL-5	16-DIHYDROXY-2	6	11-TRIMETHYL-14-[(2Z)-6-METHYLHEPTA-2	5-DIEN-2-YL]TETRACYCLO[8.7.0.0(2)	?.0(1)(1)	(1)?]HEPTADECAN-8-YL]OXY}-4	5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]OXY}-6-METHYLOXANE-3	4	5-TRIOL",OtherMutliCpd,Compound,CCC1(C(CC[C@]2(C1[C@@H](CC3C2C[C@@H]([C@@H]4[C@@]3(CC[C@@H]4/C(=C\CC=C(C)C)/C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)C)O)C,YCTQSBSHNMQDKH-OXRPIMBOSA-N,none,none,none,none,none,none,none,none,none,none,none
6439562,p-Coumaroylputrescine,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCCCN)O,CJHDBEPXEKGBDW-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6439585,Acetylvalerenolic acid,OtherMutliCpd,Compound,CC1CCC(C2=C(CC(C12)OC(=O)C)C)/C=C(\C)/C(=O)O,VBBXZFLAYWAXSK-YRNVUSSQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
6439586,Valerenolic acid,OtherMutliCpd,Compound,CC1CCC(C2=C(CC(C12)O)C)/C=C(\C)/C(=O)O,XJNQXTISSHEQKD-UXBLZVDNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
6439678,5-Hepe,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)O)O,FTAGQROYQYQRHF-FCWZHQICSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosapentaenoic acids,none,none,none,none,none,none
6439847,"(10E	12Z)-9-hydroperoxyoctadeca-10	12-dienoic acid",OtherMutliCpd,Compound,CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)OO,JGUNZIWGNMQSBM-ZJHFMPGASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
6439848,Eicosadienoic acid,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O,XSXIVVZCUAHUJO-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
6439947,Dehydropipernonaline,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3,KAYVDASZRFLFRZ-PQECNABGSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
6440133,"(2E	7E)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2	7-diene-4	6-dione",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C/C=C/C(=O)CC(=O)/C=C/CC2=CC=C(C=C2)O)O,RGMADVSAJHLTDE-YPCIICBESA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
6440134,AC1O5T1I,OtherMutliCpd,Compound,C1=CC(=CC=C1C/C=C/C(=O)CC(=O)/C=C/CC2=CC=C(C=C2)O)O,YIKBSQXTKGFYHB-IJIVKGSJSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
6440219,PDCTR,OtherMutliCpd,Compound,C=CC/C=C/C/C=C/CCCCCCCC1=CC(=CC(=C1)O)O,OOXBEOHCOCMKAC-AOSYACOCSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
6440397,caftaric acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O,SWGKAHCIOQPKFW-JTNORFRNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6440422,CHEMBL1934195,OtherMutliCpd,Compound,CC(=CCC/C(=C/COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)/C)C,OQHQALGVQDTJDN-XNTDXEJSSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,8-methoxypsoralens,none,none,none,none
6440437,AC1O5TLI,OtherMutliCpd,Compound,C/C=C(\C)/C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1COC(=O)/C=C/C3=CC=C(C=C3)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O,JGNHECWVLJXCSV-OJBZVYEASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6440503,Vitamin D5,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)C(C)C,RMDJVOZETBHEAR-AQYWQOAJSA-N,none,none,none,none,none,none,none,none,none,none,none
6440533,UNII-92Y0DPG41W,OtherMutliCpd,Compound,C/C(=C\C(C/C=C/C1=CC=C(C=C1)OC)C2C(O2)(C)C)/C=C,JVHUDTINIJAQHA-BTOGOYLPSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
6440594,Occidentoside,OtherMutliCpd,Compound,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C(=O)/C=C/C6=CC=C(C=C6)O)O,QAYDNOZSJGIPSH-UJLWYIQBSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
6440605,78214-14-9,OtherMutliCpd,Compound,COC1=CC=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)O2,NODJLUIXDICTEH-MDZDMXLPSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,none,Benzoxazines,none,none,none,none,none,none
6440659,n-cis-feruloyltyramine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C\C(=O)NCCC2=CC=C(C=C2)O)O,NPNNKDMSXVRADT-UITAMQMPSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
6440714,"Benzoic acid	 2-(8Z	11Z	14Z)-8	11	14-heptadecatrienyl-6-hydroxy-",OtherMutliCpd,Compound,CCCC(C/C=C\C/C=C\CCCC/C=C/C)OC(=O)C1=CC=CC=C1O,CKTADNOUSGFQFV-TXKYKTNMSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
6440772,"2-Tetradecenal	 4-methylene-	 (2E)-",OtherMutliCpd,Compound,CCCCCCCCCCC(=C)/C=C/C=O,STNNDCBSPFQUIQ-ACCUITESSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
6440956,Retinylglucuronide,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)\C)/C,IYHVRAMISWFIRU-GMBUFXMQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,none,none,none,none,none,none
6440962,Stigmasterol glucoside,OtherMutliCpd,Compound,CC[C@H](/C=C/[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C,VWDLOXMZIGUBKM-WQQQOVNGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
6441009,Ginsenoside-Rg2,OtherMutliCpd,Compound,CC/C(=C/CC[C@@](C)(C1CC[C@]2(C1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)C)O)/C,QOVKKEKBURQILF-HOJASPKOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
6441059,Fukinolic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@@]([C@@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O,ACYXDIZTQDLTCB-UVIKLTKHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6441188,Salvianolic acid B,OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O,SNKFFCBZYFGCQN-RDHSGEKBSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
6441377,5-Geranoxy-7-methoxycoumarin,OtherMutliCpd,Compound,CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC(=C1)OC)/C)C,WXUOSNJWDJOHGW-XNTDXEJSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
6441439,AC1O5VB8,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O.[Cl-],LTJGCRUJQNXXTN-DTBMBSLQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid 3-O-p-coumaroyl glycosides,Anthocyanidin 3-O-p-coumaroyl glycosides,Anthocyanidin 3-O-6-p-coumaroyl glycosides,none,none,none
6441562,1-Stearoyl-2-linoleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,AJMZUFBKADIAKC-SKTOPKGQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
6441567,N-Tigloylglycine,OtherMutliCpd,Compound,C/C=C(\C)/C(=O)NCC(=O)O,WRUSVQOKJIDBLP-HWKANZROSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
6442088,Ganoderenic Acid A,OtherMutliCpd,Compound,CC(CC(=O)/C=C(\C)/[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](CC4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O)C(=O)O,OVUOUFPIPZJGME-HRKVNZLKSA-N,none,none,none,none,none,none,none,none,none,none,none
6442212,173220-67-2,OtherMutliCpd,Compound,CN(/C=C\C1=CC=CC=C1)C(=O)[C@H]2[C@@H](O2)C3=CC=CC=C3,SZEAIHVOVOPANP-AVOHIMRFSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
6442291,2''-p-Coumarylastragalin,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O,IKONEAPXVKTZFF-NLGJGAJZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
6442330,"2-[(E)-heptadec-5-enyl]benzene-1	3-diol",OtherMutliCpd,Compound,CCCCCCCCCCC/C=C/CCCCC1=C(C=CC=C1O)O,NGNQUSFHEMSTCP-OUKQBFOZSA-N,none,none,none,none,none,none,none,none,none,none,none
6442374,Furanodienone,OtherMutliCpd,Compound,C/C/1=C/C(=O)C2=C(C/C(=C\CC1)/C)OC=C2C,XVOHELPNOXGRBQ-LXQMTTSMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
6442390,"2-methyl-4-[(7Z	10E)-pentadeca-7	10-dien-5-yl]benzene-1	3-diol",OtherMutliCpd,Compound,CCCC/C=C/C/C=C\CC(CCCC)C1=C(C(=C(C=C1)O)C)O,FEOJCKDSBUOTGS-FWIFIWDMSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
6442391,AC1O5X4X,OtherMutliCpd,Compound,CCCC/C=C/C/C=C\C/C=C\CC(C)C1=C(C(=C(C=C1)O)C)O,LFBUKLGLQVJWJQ-AERNHLEVSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
6442405,guineensine,OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2,FPMPOFBEYSSYDQ-AUVZEZIHSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
6442428,AC1O5X7O,OtherMutliCpd,Compound,C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12C(CC(CC1(O2)C)O)(C)C)/C=C/C=C(\C)/C=C/C34C(CC(CC3(O4)C)O)(C)C,SZCBXWMUOPQSOX-VPYIVGMTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
6442551,ISODOMOIC ACID D,OtherMutliCpd,Compound,C[C@H](/C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O,VZFRNCSOCOPNDB-PQKHEMERSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Kainoids,none,none,none,none,none
6442560,8-Shogaol,OtherMutliCpd,Compound,CCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,LGZSMXJRMTYABD-MDZDMXLPSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Shogaols,none,none,none,none,none,none
6442566,homocapsaicin,OtherMutliCpd,Compound,CC(C)/C=C/CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,JKIHLSTUOQHAFF-VQHVLOKHSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
6442577,norcapsaicin,OtherMutliCpd,Compound,CC(C)/C=C/CCCC(=O)NCC1=CC(=C(C=C1)O)OC,UTNZMGHHFHHIAY-FNORWQNLSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
6442578,nornorcapsaicin,OtherMutliCpd,Compound,CC(C)/C=C/CCC(=O)NCC1=CC(=C(C=C1)O)OC,UTTHCQMKBGTYNK-GQCTYLIASA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
6442583,99964-83-7,OtherMutliCpd,Compound,C1CCNC(=O)/C=C\C2=CC(=C(C=C2)O)OC3=CC=C(C=C3)/C=C/C(=O)NCCCNC1,QBKGCCSZLPZTIE-GUFPOKFQSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,none,Macrolactams,none,none,none,none,none,none
6442612,10-Shogaol,OtherMutliCpd,Compound,CCCCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,FADFGCOCHHNRHF-VAWYXSNFSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Shogaols,none,none,none,none,none,none
6442676,C18:1DH Cer,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O,MJQIARGPQMNBGT-WWUCIAQXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
6442707,Safynol,OtherMutliCpd,Compound,C/C=C/C#CC#CC#C/C=C/[C@H](CO)O,GVCJUCQUVWZELI-DXFRQSKKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
6442730,Acidissiminin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)/C(=C/COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)/C,AKRJIIVORCSJLA-LAWMERGMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
6442846,Cytochalasin Opho,OtherMutliCpd,Compound,CC1C/C=C/C2C(C(=C(C3C2(C(/C=C/C(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)C)O,UMHVFKLUODBPSC-KRQHZRJMSA-N,none,none,none,none,none,none,none,none,none,none,none
6442848,Cytochalasin Npho,OtherMutliCpd,Compound,CC1C/C=C/C2C(C(=C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)C)O,WFSYATBEJTUDQA-BBXOWAOSSA-N,Organic compounds,Alkaloids and derivatives,Cytochalasans,none,Cytochalasans,none,none,none,none,none,none
6442954,AC1O5Y7O,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O,KAJMZANRKFVVKV-CAUJCIISSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
6443013,29623-28-7,OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O,HNICUWMFWZBIFP-IRQZEAMPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
6443019,Avenanthramide D,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O,INBHLTYBRKASIZ-JXMROGBWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
6443023,Farnesiferol B,OtherMutliCpd,Compound,C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC[C@H]3C(=C)CC[C@H](C3(C)C)O,XXKXCRGLMFAXTK-ZTKAZNOESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
6443140,86321-24-6,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,TWSIWBHKRJLZCF-MBAOVNHDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6443339,Desmethylxanthohumol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)O)C,FUSADYLVRMROPL-UXBLZVDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
6443499,103992-91-2,OtherMutliCpd,Compound,C[C@@H]([C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)OC(=O)C)[C@H](C/C=C(\C)/C(=O)O)OC(=O)C,OCLVBEOPEKEKNM-ABOXVQNFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
6443547,1-Stearoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,SAEPUUXWQQNLGN-LVVMQYBKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
6443578,Portensterol,OtherMutliCpd,Compound,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC(C3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C,RJWIGXOAUROSSK-PQJHTRIRSA-N,none,none,none,none,none,none,none,none,none,none,none
6443609,4-cis-decenoyl-CoA,OtherMutliCpd,Compound,CCCCC/C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,QTOYQSMKQWCWOX-CCVVLBLYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Medium-chain fatty acyl CoAs,none,none,none,none,none
6443694,3-Hmbp-2-propenal,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)/C=C/C=O)O)C,FNDJBOATFIWAJR-ONEGZZNKSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
6443751,Gaylussacin,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,UPCRMPLOWXXPFK-BNVRZUOOSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
6443769,"3	5-Dihydroxycinnamic acid",OtherMutliCpd,Compound,C1=C(C=C(C=C1O)O)/C=C/C(=O)O,MFFCZSWTQMCKFP-OWOJBTEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
6443856,24-Mdhc,OtherMutliCpd,Compound,C[C@H](C/C=C(/C)\C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,CRJHBQFJDHZHGO-MYIDOQBCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
6443880,Pentasine,OtherMutliCpd,Compound,C1=C(C=[N+](C(=C1CC[C@@H](C(=O)O)N)/C(=C/CCC[C@@H](C(=O)O)N)/CC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N,PQAACQBDHKVCSF-ZJGVIXKBSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Pentacarboxylic acids and derivatives,Pentacarboxylic acids and derivatives,none,none,none,none,none,none
6443882,C18:1 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O,NBEADXWAAWCCDG-QDDWGVBQSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
6444021,Leonoside B,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)OC5C(C(C(CO5)O)O)O)O)O,ZIPURHYPGUGDEP-RMKNXTFCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
6444105,"3	4'	5-TOHS-2''-GGlc",OtherMutliCpd,Compound,C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@]([C@H](O2)CO)(/C=C/C3=CC(=CC(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,YVAPPPYBCIJACC-UBFVITNGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6444244,Leonoside A,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O,ZPJGTPAAEPXBQT-KMKHSNLESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
6444289,O-Geranylvanillin,OtherMutliCpd,Compound,CC(=CCC/C(=C/COC1=C(C=C(C=C1)C=O)OC)/C)C,SRLAFDUAEAXGBA-XNTDXEJSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
6444291,Linusitamarin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/C(=O)OC,USFDIQKRDRIDPN-CTYIEIGBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6445097,Vincarine,OtherMutliCpd,Compound,C/C=C\1/CN2[C@H]3CC1C4([C@@H]2CC5([C@@H]4O)C3NC6=CC=CC=C56)C(=O)OC,RLUORQGMBKDXPO-CFAUMIGUSA-N,Organic compounds,Alkaloids and derivatives,Corynanthean-type alkaloids,none,Corynanthean-type alkaloids,none,none,none,none,none,none
6446027,13-OXO-ODE,OtherMutliCpd,Compound,CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O,JHXAZBBVQSRKJR-BSZOFBHHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
6446280,calcitetrol,OtherMutliCpd,Compound,C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,WFZKUWGUJVKMHC-UKBUZQLGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
6446645,AC1O64TY,OtherMutliCpd,Compound,C[C@@H](CC/C=C(/C)\CO)[C@H]1CC[C@]2([C@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,WCSYVWJCJYEXKL-IYVPHLBOSA-N,none,none,none,none,none,none,none,none,none,none,none
6446647,486-23-7,OtherMutliCpd,Compound,COC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,NXOKVARAWXQHGX-JPNDPKSOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Aurone O-glycosides,none,none,none,none,none
6446720,Longistylin C,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C=C1/C=C/C2=CC=CC=C2)O)OC)C,NFAWEPOBHKEHPO-ZHACJKMWSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
6448299,BRN 4635179,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(C3=C(C(C2=O)([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O,CHYLAEHATFZYSW-YFGZFMDZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
6448346,Methoxymucidin,OtherMutliCpd,Compound,C/C(=C\C=C/C1=CC=C(C=C1)OC)/C(=C\OC)/C(=O)OC,VHMKGBYCXDBNFU-LWXRDYOCSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
6449828,Ganodermic acid S,OtherMutliCpd,Compound,C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)OC(=O)C,OTUZGGSAOMCYNC-FHWYVJHPSA-N,none,none,none,none,none,none,none,none,none,none,none
6449829,CHEMBL523392,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)/C)C,FVNFXIPJDHVJGE-REZTVBANSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
6449839,20-Aldehyde leukotriene B4,OtherMutliCpd,Compound,C(CCC=O)C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O,LVLQYGYNBVIONY-PSPARDEHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
6450098,Glutathionylcobalamin,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C(CC(=O)NC(C[S-])C(=O)NCC(=O)O)C(C(=O)O)N.[Co+3],NZRCMFDUKLMQKD-UHFFFAOYSA-K,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
6450130,139906-05-1,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O.[Cl-],VKIASUFWPSUXTH-RGZJCQCWSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid 3-O-p-coumaroyl glycosides,Anthocyanidin 3-O-p-coumaroyl glycosides,Anthocyanidin 3-O-6-p-coumaroyl glycosides,none,none,none
6450190,"10'-Apo-beta	psi-carotenal",OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=O)/C)/C,PJEHRCCPERVGEC-FLHUAPOTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,none,none,none,none,none,none
6450203,Archangelicin,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)/C(=C\C)/C,RVGGCRQPGKFZDS-PVRNWPCDSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
6450219,gamma Oryzanol,OtherMutliCpd,Compound,CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C,FODTZLFLDFKIQH-AEUNZGHWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
6450240,Obtustyrene,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)C/C=C/C2=CC=CC=C2,ZAGLUIIUOWEVEN-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Cinnamylphenols,Cinnamylphenols,none,none,none,none,none,none
6450269,trans-beta-Santalol,OtherMutliCpd,Compound,C/C(=C\CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO,OJYKYCDSGQGTRJ-BFONTGBQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
6450275,cis-zeatin-7-N-glucoside,OtherMutliCpd,Compound,C/C(=C\CNC1=NC=NC2=C1N(C=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO,HTDHRCLVWUEXIS-HNVSNYHQSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
6450302,Demethyloleuropein,OtherMutliCpd,Compound,C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC(=C(C=C3)O)O,HKVGJQVJNQRJPO-VTDDDATNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Terpene glycosides,none,none,none,none,none,none
6450808,Deoxyhumulone,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O,NQYBQBZOHCACCR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
6450832,Vitispirane,OtherMutliCpd,Compound,CC1CCC2(O1)C(=C)C=CCC2(C)C,DUPDJVDPPBFBPL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
6450898,Isoconiferin,OtherMutliCpd,Compound,C/C=C/C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC,KEOQVSSHVYLFJO-ONEGZZNKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
6450959,Gancaonin C,OtherMutliCpd,Compound,C/C(=C\CC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O)/CO,MEADLGUPYQNUNF-BIIKFXOESA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
6451042,217476-76-1,OtherMutliCpd,Compound,C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,WEGTWOZKKINDRO-YXYVUYIQSA-N,none,none,none,none,none,none,none,none,none,none,none
6451129,Notoginsenoside A,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@](C)(C/C=C/C(C)(C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O,NPZAABKZLIBPQV-FDUYOZAUSA-N,none,none,none,none,none,none,none,none,none,none,none
6451135,Camelliol A,OtherMutliCpd,Compound,CC1=C([C@@H]2CC(CC[C@@]2(CC1)C)(C)C)CC/C=C(\C)/CC[C@@H]3C(=CC[C@@H](C3(C)C)O)C,HRQSDUTTZIHWJQ-FEHKDBFISA-N,none,none,none,none,none,none,none,none,none,none,none
6451212,"1-{[(2E)-3-(3	4-dihydroxyphenyl)prop-2-enoyl]oxy}-3	4	5-trihydroxycyclohexane-1-carboxylic acid",OtherMutliCpd,Compound,C1C(C(C(CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O,GWTUHAXUUFROTF-DUXPYHPUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
6451311,1738-76-7,OtherMutliCpd,Compound,CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CN,WJKJXKRHMUXQSL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
6451393,Kaempferol-3-gluco-7-rhamnoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3CC(C(OC3=C2)C4=CC=C(C=C4)O)(O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O,JZMDHNZJOZUDLG-QVBRAHCHSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
6451512,"1	2-Dithiolane-4-carboxylicacid	 1-oxide",OtherMutliCpd,Compound,C1C(CS(=O)S1)C(=O)O,WKCDMZVXQHXDPX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dithiolanes,Dithiolanecarboxylic acids,1--2-dithiolanecarboxylic acids,1--2-dithiolane-4-carboxylic acids,none,none,none,none,none
6451579,Costic acid,OtherMutliCpd,Compound,C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O,UJQGVDNQDFTTLZ-VNHYZAJKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
6452077,Junenol,OtherMutliCpd,Compound,CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2[C@H]1O)C,MSJJKJCIFIGTJY-LJISPDSOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
6452120,(-)-Thesinine,OtherMutliCpd,Compound,C1C[C@@H]2[C@@H](CCN2C1)COC(=O)/C=C/C3=CC=C(C=C3)O,FQVNMXZPGWLUFZ-BNVCYRGBSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Coumaric acid esters,none,none,none,none,none
6452209,"2-Methyl-5-[(8Z)-pentadec-8-en-1-yl]benzene-1	3-diol",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O,LDBPJTXLCRXBIJ-HJWRWDBZSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
6452574,16alpha-hydroxypregnenolone,OtherMutliCpd,Compound,CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,ZAKJZPQDUPCXSD-YRWKUUEZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
6452827,Cellobionic acid,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O,JYTUSYBCFIZPBE-ZNLUKOTNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
6452837,Isoprimeverose,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O,XOPPYWGGTZVUFP-VUMGGCQHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
6453162,AC1O56W4,OtherMutliCpd,Compound,C[C@@]12CCC3[C@@]([C@@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@@H]([C@H](C3(C)CO)O)O)CO,USIMOIBJGVJSLM-YVILOKHASA-N,none,none,none,none,none,none,none,none,none,none,none
6453284,"Phenol	 2-ethoxy-4-(methoxymethyl)-",OtherMutliCpd,Compound,CCOC1=C(C=CC(=C1)COC)O,FNEWGEWRECZWQM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
6453452,Engeletin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O,VQUPQWGKORWZII-WDPYGAQVSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
6453659,"Cholestane-3	7	12	24	25-pentol",OtherMutliCpd,Compound,C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,NHPWQASMMFUHIZ-YBMOUMCLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
6453839,(+)-Manoyl oxide,OtherMutliCpd,Compound,C[C@@]1(CC[C@H]2[C@@]3(CCCC([C@H]3CC[C@@]2(O1)C)(C)C)C)C=C,IGGWKHQYMAJOHK-QVHQYWGISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
6453871,5-Methyldihydrofolate,OtherMutliCpd,Compound,CN1C(=CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,VWNDXSYYCICZGD-ZDUSSCGKSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Dihydropteroic acids and derivatives,Dihydrofolic acids and derivatives,none,none,none,none,none
6453952,Suberylglycine,OtherMutliCpd,Compound,C(CCCC(=O)O)CCC(=O)NCC(=O)O,HXATVKDSYDWTCX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
6454212,4-O-Methyl equol,OtherMutliCpd,Compound,COC1=CC=C(C=C1)[C@@H]2CC3=C(C=C(C=C3)O)OC2,FPRFNXQLWQOWED-CYBMUJFWSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
6454401,AC1O59BG,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)[C@H]2[C@H]1C)C)C(=O)O,MUCRYNWJQNHDJH-LWIALTINSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
6454686,Pphb-10,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C,CMPNJZREBHCPHN-LTNIBBDRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,Polyprenylphenols,none,none,none,none,none,none
6455477,Isorhamnetin 7-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,YCUNOXSUHVGZRI-XMHBHJPISA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
6455496,AC1O5BL1,OtherMutliCpd,Compound,CC12CCCC(=C)C1CC(CC2)CC(C)(C)O,GMZKBWZWDAAWPI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Tertiary alcohols,none,none,none,none,none,none
6474309,"4	5-Dicaffeoylquinic acid",OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O,UFCLZKMFXSILNL-RVXRWRFUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
6474310,Isochlorogenic acid A,OtherMutliCpd,Compound,C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
6474640,"1	3-O-Dicaffeoylquinic acid",OtherMutliCpd,Compound,C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O,YDDUMTOHNYZQPO-PSEXTPKNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
6474788,Epigallocatechin 3-O-p-coumarate,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O,HKPGWUPXXPIOAN-XMTAIGAMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
6475145,2061-64-5,OtherMutliCpd,Compound,C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C,VXOZCESVZIRHCJ-PHICIKCOSA-N,none,none,none,none,none,none,none,none,none,none,none
6475724,Licuroside,OtherMutliCpd,Compound,C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O,VMMVZVPAYFZNBM-FPYGCLRLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
6476389,Camelliol B,OtherMutliCpd,Compound,CC1=C([C@@H]2CC(CC[C@@]2(CC1)C)(C)C)CC/C=C(\C)/CCC(=C(C)C)C(C)CCCO,KIXZDOGILWAHJH-JRMVMBJISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
6476390,Camelliol C,OtherMutliCpd,Compound,CC1=CC[C@@H](C([C@@H]1CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)(C)C)O,CIDHBCQEXDUWEB-HJSIMFEZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
6477032,NSC623904,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)/C=C(/C3=NC4=CC=CC=C4N3)\NC(=O)C5=CC=CC=C5)/C6=NC7=CC=CC=C7N6,AFVNBVDFNWYIBJ-HUMGCQOQSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
6478421,"3	4	3'	4'-Tetrahydroxy-2-methoxychalcone",OtherMutliCpd,Compound,COC1=C(C=CC(=C1O)O)/C=C/C(=O)C2=CC(=C(C=C2)O)O,BICPGUILWBQAEY-GORDUTHDSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
6478778,mangostinone,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O)/C)C,RJLWIAOXQDZMTB-GXDHUFHOSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
6479089,Xanthoangelol H,OtherMutliCpd,Compound,CC1(C(CC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)OC)O)C,BLZMHRPUJFCGIJ-UXBLZVDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
6479222,Cholesteryl arachidonate,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,IMXSFYNMSOULQS-BEDFLICRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
6481824,Sageone,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)CCC3=C2C(=O)CCC3(C)C)O)O,NPQAMUFQEFLLCY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
6483317,Mammea A/AB,OtherMutliCpd,Compound,CCC(C)C(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O,YALRCXHVQYBSJC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
6506224,18-Hydroxyretinoic acid,OtherMutliCpd,Compound,C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(CCCC1(C)C)CO,XSJOIRFEYHJNAW-FCKHSPHMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
6506529,5859-11-0,OtherMutliCpd,Compound,C1=CC(=CC=C1N/N=C/2\C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O,BRRCTYIIDDWBOG-FBMGVBCBSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
6537289,CCRIS 5698,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C)N/N=C\2/C(=O)C=CC3=CC=CC=C32,FDNJOVQYHIFIMI-CZIZESTLSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
6537500,"Cynarin (Echinacea)(1	3-Dicaffeoylquinic Acid)",OtherMutliCpd,Compound,C1C[C@]([C@H]([C@@H]([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)(C(=O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O,AGWPABZXEMVRNE-ZFNQUHTLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
6552009,Borneol,OtherMutliCpd,Compound,C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O,DTGKSKDOIYIVQL-WEDXCCLWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
6560290,Turicine,OtherMutliCpd,Compound,C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C,MUNWAHDYFVYIKH-PHDIDXHHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
6602291,LS-187369,Drug,Compound,CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4C[C@@H]([C@H](NC(=O)[C@H]5[C@@H]([C@@H](CN5C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]6C[C@@H](CN6C(=O)[C@H](NC4=O)[C@@H](C)O)O)C([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@H](CC(=O)N)O)C)O)O)O,PIEUQSKUWLMALL-YMYSKOQUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
6603320,Emetine hydrochloride,OtherMutliCpd,Compound,CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl,HUEYSSLYFJVUIS-MRFSYGAJSA-N,Organic compounds,Alkaloids and derivatives,Emetine alkaloids,none,Emetine alkaloids,none,none,none,none,none,none
6604100,DANTROLENE SODIUM,Drug,Compound,C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+],KSRLIXGNPXAZHD-HAZZGOGXSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
6708482,fosinopril,Drug,Compound,CCC(=O)O[C@H](C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3,BIDNLKIUORFRQP-AJTMIRJTSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
6710704,"5	7-Dimethoxyisoflavone",OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=CC=C3)OC,CDSSYLTXYXEANW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
6710762,AVOCADYNONE ACETATE,OtherMutliCpd,Compound,CC(=O)OCC(CC(=O)CCCCCCCCCCCC#C)O,HZHSVQVECJXVRP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
6714002,PREDNICARBATE,Drug,Compound,CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC,FNPXMHRZILFCKX-KAJVQRHHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
6850715,"1	2-xylene; 1	3-xylene; 1	4-xylene",OtherMutliCpd,Compound,CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.CC1=CC=CC=C1C,MVZVDAGWAAZJPE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Xylenes,p-Xylenes,none,none,none,none,none,none
6850770,Propylene glycol mono- and diesters of fats and fatty acids,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCC,CCXUFFTYEJRDBY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
6850771,Acetoglycerides,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)O.CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C.CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)O.CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,RBWQSBMSOGTQAQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
6850789,Ferrivenin,Drug,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3],MSBRDSHNKSLACK-SWKHMZSWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
6852180,P1-(5'-ADENOSYL)-P5-(5'-GUANOSYL) PENTAPHOSPHATE,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O,CNMILLPGDWDFCZ-INFSMZHSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
6857403,Phosphatidylinositol 3-phosphate,OtherMutliCpd,Compound,C([C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)C(=O)O)C(=O)O,YKMGQFUXYYTRLF-SLJXNWFNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Inositol phosphates,none,none,none,none
6857406,AC1OAGKB,OtherMutliCpd,Compound,C([C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)C(=O)O)C(=O)O,XDRKXHFFISPRNM-WYWRSGASSA-N,none,none,none,none,none,none,none,none,none,none,none
6857447,BETA-TOCOPHEROL,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
6857681,beta-SANTALOL,OtherMutliCpd,Compound,C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO,OJYKYCDSGQGTRJ-GQYWAMEOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
6857792,AVOCADENOFURAN,OtherMutliCpd,Compound,C=CCCCCCCCCCCCC1=CC=CO1,KNKVJBRMGKXDGO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
6857797,AVOCADYNOFURAN,OtherMutliCpd,Compound,C#CCCCCCCCCCCCC1=CC=CO1,ONYOTXAYIZRIPJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
6916254,"5-[(E)-pentadec-8-enyl]benzene-1	3-diol",OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCC1=CC(=CC(=C1)O)O,TUGAUFMQYWZJAB-BQYQJAHWSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
6917715,ETONOGESTREL,Drug,Compound,CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,GCKFUYQCUCGESZ-BPIQYHPVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
6917750,GYKI-14166,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@H](CCCN=C(N)N)C=O.OS(=O)(=O)O,WQNNDABHYSXCLU-QEFLZESTSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
6918140,Treprostinil,Drug,Compound,CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O,PAJMKGZZBBTTOY-ZFORQUDYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
6918155,Ciclesonide,Drug,Compound,CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6,LUKZNWIVRBCLON-GXOBDPJESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
6918296,Dutasteride,Drug,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C,JWJOTENAMICLJG-QWBYCMEYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
6918456,Prasugrel,Drug,Compound,CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4,DTGLZDAWLRGWQN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thienopyridines,none,Thienopyridines,none,none,none,none,none,none
6918493,Ambrisentan,Drug,Compound,CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C,OUJTZYPIHDYQMC-LJQANCHMSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
6918558,Fesoterodine,Drug,Compound,CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,DCCSDBARQIPTGU-HSZRJFAPSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
6918741,Betavulgaroside II,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@@H]7[C@@H]([C@H](O6)C(=O)O)O[C@](C(O7)OCC(=O)O)(C(=O)O)O)O,JZICHZJWNUYONS-YVPIGEEUSA-N,none,none,none,none,none,none,none,none,none,none,none
6950274,"(1R	2S	4R)-1	7	7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate",OtherMutliCpd,Compound,CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C,KGEKLUUHTZCSIP-SCVCMEIPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
6971249,(S)-2-methylbutanal,OtherMutliCpd,Compound,CC[C@H](C)C=O,BYGQBDHUGHBGMD-YFKPBYRVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Short-chain aldehydes,none,none,none,none,none
6973640,(+)-Isoborneol,OtherMutliCpd,Compound,C[C@]12CC[C@H](C1(C)C)C[C@@H]2O,DTGKSKDOIYIVQL-OYNCUSHFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
6991982,3-Dehydrocarnitine,OtherMutliCpd,Compound,C[N+](C)(C)CC(=O)CC(=O)[O-],YNOWULSFLVIUDH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
6992262,"adenosine 2'	3'-cyclic monophosphate",OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-],KMYWVDDIPVNLME-KQYNXXCUSA-M,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Cyclic purine nucleotides,2'--3'-cyclic purine nucleotides,none,none,none,none,none,none
6993818,(R)-glycerol 1-acetate,OtherMutliCpd,Compound,CC(=O)OC[C@H](CO)O,KMZHZAAOEWVPSE-YFKPBYRVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
6995182,fMet,OtherMutliCpd,Compound,CSCC[C@H](C(=O)O)NC=O,PYUSHNKNPOHWEZ-RXMQYKEDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Methionine and derivatives,none,none,none,none
6997341,(4S)-4-methylnonanoate,OtherMutliCpd,Compound,CCCCC[C@H](C)CCC(=O)[O-],WQTZCQIRCYSUBQ-VIFPVBQESA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
6997351,(4S)-4-ethyloctanoate,OtherMutliCpd,Compound,CCCC[C@H](CC)CCC(=O)[O-],PWKJMPFEQOHBAC-VIFPVBQESA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
6997371,(1R)-endo-(+)-Fenchyl alcohol,OtherMutliCpd,Compound,C[C@@]12CC[C@@H](C1)C([C@@H]2O)(C)C,IAIHUHQCLTYTSF-OYNCUSHFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
6999659,ZINC02030622,OtherMutliCpd,Compound,C[C@@]1(C2=CC(=C(C=C2CC[NH2+]1)O)OC)C(=O)[O-],CJEFWISJWQNPSZ-GFCCVEGCSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
6999745,(3S)-3-methylhexanedioic acid,OtherMutliCpd,Compound,C[C@@H](CCC(=O)O)CC(=O)O,SYEOWUNSTUDKGM-YFKPBYRVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
6999977,34451-19-9,OtherMutliCpd,Compound,CCCCOC(=O)[C@H](C)O,MRABAEUHTLLEML-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
7015684,CHEBI:133752,OtherMutliCpd,Compound,C(CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+],JPKNLFVGUZRHOB-YUMQZZPRSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
7015703,No_auto_id,OtherMutliCpd,Compound,C(CC[NH3+])C[C@@H](C(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])[NH3+],BBBXWRGITSUJPB-YUMQZZPRSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
7018721,Ophthalmic acid,OtherMutliCpd,Compound,CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,JCMUOFQHZLPHQP-BQBZGAKWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
7055179,AC1OEESM,OtherMutliCpd,Compound,C[C@]1(C2=CC(=C(C=C2CC[NH2+]1)O)O)C(=O)[O-],XHGLVMDBZZZXDP-NSHDSACASA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
7058075,16-hydroxyhexadecanoate,OtherMutliCpd,Compound,C(CCCCCCCC(=O)[O-])CCCCCCCO,UGAGPNKCDRTDHP-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
7131043,(5R)-5-hydroxyhexanoic acid,OtherMutliCpd,Compound,C[C@H](CCCC(=O)O)O,YDCRNMJQROAWFT-RXMQYKEDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
7251175,ST057234,OtherMutliCpd,Compound,CC(=CCC/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C,DBMJZOMNXBSRED-DHDCSXOGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
7251183,(+)-7-iso-Jasmonic acid,OtherMutliCpd,Compound,CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)O,ZNJFBWYDHIGLCU-QKMQQOOLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Jasmonic acids,none,none,none,none,none,none
7271803,(-)-Pinocampheol,OtherMutliCpd,Compound,C[C@@H]1[C@@H]2C[C@@H](C2(C)C)C[C@H]1O,REPVLJRCJUVQFA-LURQLKTLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
7563148,cis-5-Decenedioic acid,OtherMutliCpd,Compound,C(C/C=C\CCCC(=O)O)CC(=O)O,WAGQZQAZCIOEDU-UPHRSURJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
7567908,ZINC100023849,OtherMutliCpd,Compound,C[C@@H]1CCCC(=O)C1=O,JDXJKLGWPNXSHL-RXMQYKEDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
7661699,3-(1H-indol-3-yl)-N-methylpropanamide,OtherMutliCpd,Compound,CNC(=O)CCC1=CNC2=CC=CC=C21,YRFPBFOOZPGAAH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Tryptamines and derivatives,none,none,none,none,none,none
9543313,"3-Hydroxy-2	6-dimethyl-5-methylene-heptanoyl-CoA",OtherMutliCpd,Compound,CC(C)C(=C)CC(C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,LQMGDAUBYDSVAK-VEQIRKQXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
9543333,adipoyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCC(=O)O)O,SPNAEHGLBRRCGL-BIEWRJSYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
9543671,cis-4-Decenedioic acid,OtherMutliCpd,Compound,C(CCC(=O)O)C/C=C\CCC(=O)O,CXGDCGIPEJKSCK-IWQZZHSRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
9543678,1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,ADLOEVQMJKYKSR-YAIMUBSCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543679,"1	2-di-(9Z-hexadecenoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,HSQHRRHRYJNSOC-DWCRPSDDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543688,1-hexadecanoyl-2-octadecanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC,ONCLVQFEAFTXMN-DHUJRADRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543691,Diacylglycerol(16:1/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,SPBROLJVHYTNGF-BSNNDZOISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543694,DG(16:1(9Z)/18:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,FWWLDEIJAPIBES-DATDAJMQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543695,Diacylglycerol(16:0/18:2),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,SVXWJFFKLMLOHO-YAIZGCQRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543699,Diacylglycerol(16:1/18:2),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,BHGPPCIWDXQOMA-IXDOJJAKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543700,"DG(16:0/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,UHPKYXAUVQOHQL-DSZXWZEOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543703,"DG(16:1(9Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,UUPFPLJLQPYEKS-BTMLKTQRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543705,"1	2-distearoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,UHUSDOQQWJGJQS-QNGWXLTQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543710,DG(16:0/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC,RZKCYEISOFRALJ-QNGWXLTQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543714,DG(16:1(9Z)/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,CJEAOBNZIRDIRB-KDKAWYBRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543715,DG(16:0/20:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,WLZSVJONADRHKP-OKTLSVAYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543716,"1	2-Dioleoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,AFSHUZFNMVJNKX-LLWMBOQKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543720,DG(16:1(9Z)/20:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,FBCDXXQBGHZSLI-JSTCSLLMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543721,"1-hexadecanoyl-2-(11Z	14Z-eicosadienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,MVAYIPZWUCBXOE-PKQDJGPXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543722,Diacylglycerol(36:3),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,BLZVZPYMHLXLHG-JOBMVARSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543723,"DG(18:0/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,UBECYQFWKVVULW-RSUCNCGHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543727,"DG(16:1(9Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,WPAJXHHVSWVZKN-YCGDJTGESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543728,"1-hexadecanoyl-2-(8Z	11Z	14Z-eicosatrienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,XYIQDUUJTXPBFG-JKUSIIDJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543729,"1	2-Dilinoleoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,MQGBAQLIFKSMEM-ZHARMHCNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543730,Diacylglycerol(18:1/18:3),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,YAKOEWASAGCYLB-VGCWMEDESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543735,"DG(16:1(9Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,NYQKJGFMVCFYDN-AMOZTXBCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543736,Diacylglycerol(16:0/20:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,YJEMDFYSDGNQNM-NDUZERMISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543737,"DG(18:2(9Z	12Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,PGXBELQFNRPKBC-WBVIKXMWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543739,DG(18:0/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC,JPKVDETWOQEHQO-KDXMTYKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543743,"DG(16:1(9Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IVRNQYIPGILFPZ-SEKRGLSRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543744,"DG(16:0/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WLYFADQAJKNNQG-DEWGQWFUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543745,"DG(18:3(9Z	12Z	15Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,RAPBJBKXYYMYAY-CGENZCGBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9543747,DG(18:1(9Z)/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,MRYGMFRXGCUEJC-WRDQRZSUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543748,DG(18:0/20:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,KMWDOOIYMHAOTF-IYXMMJGVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543752,DG(16:1/20:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,MUYDIVLBRBWUDW-JCIONVESSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543755,Diacylglycerol(18:2n6/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,ZNOIOLWTHOFTSX-LWXJMYDFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543756,Diacylglycerol(18:1/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,AKCNIDZVBDSVNW-VDHPRTRFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543757,"DG(18:0/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,KUZPKVPIXRZEFX-WGYNPVHSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543762,1-hexadecanoyl-2-docosanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC,JAJNYVORAKCQCM-KDXMTYKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543764,Diacylglycerol(38:3),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,KYOOZXPNLNVRQD-CVALLSOGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543765,"DG(18:2(9Z	12Z)/20:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,GVVZJFBZNDAOHI-OUXUMZNPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543766,"DG(18:1(9Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,ADXAWIIUCSQOAS-SMJOZILHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543771,DG(16:1(9Z)/22:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,BZRVDTDUKMXTCU-QZEPCWIRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543772,DG(16:0/22:1(13Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,AQKZYWKDVXMSNP-VAINBGCVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543774,Diacylglycerol(18:3/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,FKEJUWZHPJHICT-PZRRJSEXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543775,"DG(18:2(9Z	12Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,KWDLZBOFKFWNKF-ASQXEFDISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543776,Diacylglycerol(18:1/20:3),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,LRJPBKAIKLUOIQ-MBIZCETBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543780,DG(16:1(9Z)/22:1(13Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,BRTWZKUDSRQGQH-NFIJARSKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543782,"1	2-dieicosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC,AGUTXIBMYVFOMK-RWYGWLOXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543784,Diacylglycerol(38:5),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,GRGDLDNREYVILP-CNWVQWJYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543785,"DG(18:2(9Z	12Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,YOCFNRCUDLNVHC-DEAWSBFVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543786,1-oleoyl-2-arachidonoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LWXLWRXRJKMNLM-GOZUYJTOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543792,"DG(16:0/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,ZJCSFJOHCINPOJ-QIXAIMDBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543793,1-eicosanoyl-2-(11Z-eicosenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,VFUWCRMMTRWZAT-JLDYGAOKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543795,Diacylglycerol(18:3n3/20:3n6),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,YDVDXUYJFQLPEG-CTHJWPIASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543796,"DG(18:2(9Z	12Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,KRECEGQUDDMNAQ-MYBRWWDOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543797,"DG(18:1(9Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,JLJZWBKQVKCOJP-GZAZVFSZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543802,"DG(16:1(9Z)/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,GPTNTTOKYPVRNK-VWMWQVQRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543803,"1-hexadecanoyl-2-(7Z	10Z	13Z	16Z-docosatetraenoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,OJVQSHJQMGRSFT-GPQLOSGLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543804,"1	2-di-(11Z-eicosenoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,UGUUWDUSTWFBIL-FSLKPFOISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543805,DG(20:0/20:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,NNJMLNYVXGBWTM-VOHQUEQVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543807,DG(18:3/20:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,LNULHVHEFBREGW-RRJBTLHSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543808,DG(18:2/20:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,NJMRNAUCBISRLW-MXFFFPLYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543814,"DG(16:1(9Z)/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IEGKTGQMTJQYNI-BBXHSGSRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543815,"DG(16:0/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VLJIZFHHJAQUNJ-ACPSSCCYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543816,DG(20:1/20:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,MNSHIDQOQTYKIH-FLSBRMJYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543817,DG(20:0/20:3/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,GTUXAZVMTIJFDJ-XBWBIQNSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543819,DG(18:3/20:5/0:0)[iso2],OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,UCNOSBIKXCGZEQ-VFIGUUKFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543821,1-(9Z-octadecenoyl)-2-docosanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,NHEBXUGDQJUJJE-ZKLBNZMTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543826,"DG(16:1(9Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZLRHCSCBOSNBCZ-BLHWWIFISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543827,Diacylglycerol(16:0/22:6),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,BXVYQJJBMVVALQ-VVSMSMGFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543828,"DG(20:2(11Z	14Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,MPOMACSXXDRWJX-KFOZCGKISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543829,"DG(20:1(11Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,GUCWFGHNWKOBJT-VSVXWRETSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543830,Diacylglycerol(20:0/20:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,OUGXERRDRINUQU-AICYSBPGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543833,DG(18:2/22:0/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,MUGMVAWNRXSCNZ-MBAZWWNYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543834,DG(18:1/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,GIMFDENDLRGOPW-YHSFMADTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543839,DG(16:1/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HVNZXEWOOPDEBR-DWOBMRGOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543840,DG(20:2/20:3/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,LQWVDOZRCDULIP-FFNILDJDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543841,DG(20:1/20:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,NSVJKGBXOPSAKL-XZUVHLGKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543842,Diacylglycerol(20:0/20:5n3),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QEOYMVJQPHELJB-YXHLBBQNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543844,DG(18:3/22:0/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,DPHWXZLPVJVDLP-QMEKCAQHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543845,DG(18:2/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,DVPIWRLXQQULKC-FUEJHESBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543847,DG(18:0/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,CPEWURNZWJEDDC-CMFLVMKTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543851,"DG(20:3(8Z	11Z	14Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,KQIYTEYFXBGLOT-MDOXXFDXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543852,"DG(20:2(11Z	14Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,XWQMGVSLXBIWRI-SXIWVUKCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543853,"DG(20:1(11Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KXSTZGDSFQAWPR-KFALEISNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543856,"DG(18:3(9Z	12Z	15Z)/22:1(13Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,DBEOEBUOSXYDLR-OBJNFHFWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543858,DG(18:1/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,YYCQDSISASSAEO-NCUUJOFOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543859,Diacylglycerol(18:0/22:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VKBBGCKYUQMBMB-RFMQAYKLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543862,"DG(20:3(8Z	11Z	14Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JDIBHXLLYJNLGX-YWTQTYENSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543863,"DG(20:2(11Z	14Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,SGRGWEJJBSSTNQ-ORLHYVSVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543865,1-eicosanoyl-2-docosanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC,FASMRHWOTINWGZ-QLKFWGTOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543868,"DG(18:2(9Z	12Z)/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,XQABSIGFGYYERB-AFRYFLNXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543869,Diacylglycerol(18:1/22:4),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,XLFXOFMAQPNCDB-IATQTFTGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543870,DG(18:0/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,JDCKQBKHWBEMSZ-QYYXEFEZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543872,Diacylglycerol(40:8),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FVXRWZPVZULNCQ-ZPRYGCIXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543873,DG(20:3/20:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XANADRMGOADESM-NQANAINDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543875,1-(11Z-eicosenoyl)-2-docosanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,KKUJWTOLSKTBLP-QGWKGAMHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543876,1-eicosanoyl-2-(13Z-docosenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,DSCILNRDAOLXET-URFWVIAFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543878,DG(18:3/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,BNNRAXXNNFEFAX-KUSRJDHNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543879,"DG(18:2(9Z	12Z)/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,REWOPMLGNOGDCI-IUTJGAPQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543880,"DG(18:1(9Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,OPNGKSOAWMNPIR-YZBXQAENSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543881,1-stearoyl-2-docosahexaenoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LBDXVTOFXXDOGH-KXYFHQNYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543882,DG(20:4/20:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,SOTDSRZHXSBCPK-IOUHWUENSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543884,DG(20:2/22:0/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,KVPLVJYCAJVIFI-WSVMHZSVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543885,DG(20:1/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,TXSPVVDGQJIPFG-ALXJKLDESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543888,"DG(18:3(9Z	12Z	15Z)/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,GDGIKICQQQMUCS-BQSGGISSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543889,"DG(18:2(9Z	12Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LRHVZVQHYQOHJX-NMJALGAOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543890,Diacylglycerol(18:1/22:6),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZILMKERHGSKQBG-PNCFOYGISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543891,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,JHFHIXGYPUDQSZ-TUACLRHISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543893,DG(20:3/22:0/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,LRNYGWAQIGPPAD-PJYRBPHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543894,DG(20:2/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,KQGBJCFOSYSOAG-MOUXKHRQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543896,DG(20:0/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,PYAZOTPSRUDMOJ-SLORSEGHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543898,DG(18:3/22:5/0:0)[iso2],OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WAENXTSOONTGEU-MMULMDALSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543899,DG(18:2/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GPMAAGRGFWBOSO-ULIJUFBVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543901,DG(20:4/22:0/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,DAABORBMJVTYLX-RQEFIOFBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543902,DG(20:3/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,SJSQEEQAFMXOJS-WPHOSDIDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543904,DG(20:1/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,HTJQHHPEPGYSBB-OZXITPPFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543905,DG(20:0/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LIRLMNCXQNGJAR-PCLUGSAVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543907,DG(18:3/22:6/0:0)[iso2],OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VLUYADZBWJUSNX-CBEILCGKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543909,DG(20:5/22:0/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,DKGGGFRIGQZDAN-FEXBNKBVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543910,DG(20:4/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WKUDUYSSFQLXBQ-IECXURCBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543912,DG(20:2/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,KHHSYSTWZDFLIM-ILFLBGHUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543913,DG(20:1/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,AGEDXKMYUUORTP-WDEKTGJKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543914,DG(20:0/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PMVMMUJTSZQJAB-BRUCBZLFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543917,DG(20:5/22:1/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RBNQMECWIQORFH-ONNHQCRXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543919,DG(20:3/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,VBCNGJAQJONNNF-PMMDLJHQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543920,DG(20:2/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,PZPBNNFYTRYMLV-UZYSKLKTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543921,DG(20:1/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,TWCMTRCNZDNRCJ-VLFCHZRNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543922,DG(20:0/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WKXRCUYDMVQYFL-PZJJUGDGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543923,"1	2-didocosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,GNWCZBXSKIIURR-GWHBCOKCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543926,DG(20:4/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VKEYYLBMEUEXFX-HFPOVAENSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543927,DG(20:3/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IUQSOYMQPQLRSB-QZEAQCGLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543928,DG(20:2/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PHEAPUPNQBRDGI-ZUOQLFCRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543929,DG(20:1/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,DRIFQOGOCCKIPC-SEGWQOHBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543930,1-docosanoyl-2-(13Z-docosenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,NKSDJABUVNERTD-YNNWIYJUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543932,DG(20:5/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,MJUGWSKZTGKJGI-BMUOJEPESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543933,DG(20:4/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,QLXRTSJYSJPTKX-HZCZZQGESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543934,DG(20:3/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HPCOHNVJSNKQSE-PXRSSQERSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543935,DG(20:2/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,YHQBLWXJXUWICY-WWZPBJSXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543936,"1	2-di-(13Z-docosenoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,FZERQYTVWAKJPN-DZSRQPACSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543939,DG(20:5/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,CLIVNRYLORBLDZ-RHSPKVRASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543940,DG(20:4/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HSKJOLAPTSGCSH-WKAOBNJFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543941,DG(20:3/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GDNMDBJVAWPVGR-COYORSRASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543943,DG(22:0/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,XIMNXKOUCJXPFV-LGJUANINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543945,DG(20:5/22:5/0:0)[iso2],OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,OUICMEDLCFNSEM-DXLXWFFZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543946,DG(20:4/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,NKWCJWBTGOMXKM-JNFYRXNCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543948,DG(22:1/22:2/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,FYQVTZZMQMJNHB-DDYXGRGRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543949,DG(22:0/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,OAAPMPLRQWJXII-FWNLWRKOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543951,DG(20:5/22:6/0:0)[iso2],OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IYZLSPKVBGVQGT-KDMZTRHFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543953,DG(22:1/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,BURCQDGCWPFHHR-MITNHONLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543954,DG(22:0/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GMZZYZDUBUFIPU-QEPBFJRCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543956,"DG(22:2(13Z	16Z)/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,SCVNSJLHAHBZQT-TWWVEEIUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543958,DG(22:1/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PQWSGSBIIPRRHU-CEMPWXBKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543959,DG(22:0/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PBRXTDVHOOTQOF-OSLKVGKFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543960,DG(22:2/22:4/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ZCSNYIFMHKELAC-PWZZXBAASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543962,DG(22:1/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QBKPRNCJBCIRJE-TXBVEVLOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543963,Diacylglycerol(22:4/22:4),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,HHYKAFPKWFOYAT-AWFPJDAOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543964,DG(22:2/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HMSOTOZJTJGHII-VGDKDAIESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543966,DG(22:4/22:5/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XQQKDKHTRQINKI-PXLKIAQJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543967,DG(22:2/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LXRBEUSCWZBMKX-IAGGVCRSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543968,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XGLDFBKEMUUOPX-ZEXWWIQASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543969,DG(22:4/22:6/0:0)[iso2],OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FTTXVMBLPYECRE-GUCJRDQASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543970,DG(22:5/22:6/0:0)[iso2],OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GOUJNOAHBHZNEP-DOVAAHQDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9543972,DG(16:0/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,IIEPDWHEGOSXLD-NMYQGLQJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
9544047,"1	2-dihexadecanoyl-3-eicosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,YDZWEVBRICYXOV-OIVUAWODSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
9544140,TG(16:0/18:0/20:0)[iso6],OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,DHDAMQPBPJWJEI-AXAMJWTMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
9544299,"1-hexadecanoyl-2	3-dieicosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,SXOXZWKQBXKGCG-LXXIDKMWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
9544304,"1	2-dioctadecanoyl-3-eicosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,JFGIMQPGGNOOHN-LXXIDKMWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
9544551,"1-octadecanoyl-2	3-dieicosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,JWFYUJLOEJEIEC-QPUWJJAWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
9546779,PE(20:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,YZHFSRADFLHBES-WBVITSLISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546797,UNII-146IH66H58,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RBDNSJMXMWTPCS-NYUVKXDYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546807,PE(15:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC,SKVKIGSFTGVBOX-MGBGTMOVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546831,PE(20:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,BTLAVGLEJZTZIF-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546832,PE(16:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,WUOUBQYGDGGIKB-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546846,PE(18:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,SBFXSLRWWDOXBJ-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546866,PE(24:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,XHBLCCOKQORVAN-QZNUWAOFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546867,PE(22:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,TZFNCLDMKUFURD-QZNUWAOFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9546969,PE(16:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,ZFCOGJGXPSVFIM-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9547000,PE(14:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN,FXNACVVCWBVCGD-MGBGTMOVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9547021,PE-NMe2(16:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,SKWDCOTXHWCSGS-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,Dimethylphosphatidylethanolamines,none,none,none,none,none
9547031,3930-13-0,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC,QSBINWBNXWAVAK-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,Monomethylphosphatidylethanolamines,none,none,none,none,none
9547032,PE-NMe(18:1(9Z)/18:1(9Z)),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCCCC,LPXFOQGBESUDAX-NLEYBKGJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,Monomethylphosphatidylethanolamines,none,none,none,none,none
9547033,PE-NMe(16:0/18:1(9Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCCCC,YAOJJIUXLIFZQN-YWTUKGCKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,Monomethylphosphatidylethanolamines,none,none,none,none,none
9547068,LPE(18:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,BBYWOYAFBUOUFP-JOCHJYFZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
9547069,16:0 LYSO-PE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,YVYMBNSKXOXSKW-HXUWFJFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
9547070,PE(14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,RPXHXZNGZBHSMJ-GOSISDBHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
9547096,51446-62-9,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC,TZCPCKNHXULUIY-RGULYWFUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
9547179,1-Stearoyl-sn-glycero-3-phosphate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,LAYXSTYJRSVXIH-HXUWFJFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Monoacylglycerophosphates,Lysophosphatidic acids,1-acylglycerol-3-phosphates,none,none,none,none
9547202,N-(pentacosanoyl)-ceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,QHPYSHVSWAOLHS-PVNBSDFKSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
9547243,Ercalcitriol,OtherMutliCpd,Compound,C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,ZGLHBRQAEXKACO-XJRQOBMKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
9547253,"(5Z	7E	22E)-(1S	3R	24R)-9	10-seco-5	7	10(19)	22-ergostatetraene-1	3	24	25-tetrol",OtherMutliCpd,Compound,C[C@H](/C=C/[C@](C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,KRGCLKZOZQUAFK-ABEKVIRTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
9547705,Bisnorcholic acid,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)C(=O)O,BBSJMECOWBMUCF-XPCRKILGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
9548595,Citrostadienol,OtherMutliCpd,Compound,C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)\C(C)C,LPZCCMIISIBREI-JXMPMKKESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
9548762,SCHEMBL17732299,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C\C2=CC(=C(C=C2)O)OC)O,KQPXJFAYGYIGRU-ARJAWSKDSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
9548815,hematin,OtherMutliCpd,Compound,CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C=C.O.[Fe+2],CODDGSIFXYHHJO-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Metallotetrapyrroles,Metalloporphyrins,none,none,none,none,none,none
9548873,2-O-a-L-Fucopyranosyl-galactose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O)O)O)O,BQEBASLZIGFWEU-YYXBYDBJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
9548883,(19S)-Hydroxy arachidonic acid,OtherMutliCpd,Compound,C[C@@H](CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O,XFUXZHQUWPFWPR-DZBJBCEBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,none,none,none,none,none,none
9561835,10-Hydroxystearic acid,OtherMutliCpd,Compound,CCCCCCCCC(CCCCCCCCC(=O)O)O,PAZZVPKITDJCPV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
9568613,Perprazole,Drug,Compound,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2],KWORUUGOSLYAGD-YPPDDXJESA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
9568614,Esomeprazole,OtherMutliCpd,Compound,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,SUBDBMMJDZJVOS-DEOSSOPVSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
9570177,Brown HT,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C/3\C=C(C(=O)/C(=N\NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O)/C3=O)CO,QYZJZOXEQZLXDY-AIWRBXEOSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthalene sulfonic acids and derivatives,Naphthalene sulfonates,1-naphthalene sulfonates,none,none,none,none,none
9570225,CITRUS RED 2,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)OC)N/N=C/2\C(=O)C=CC3=CC=CC=C32,ULLJIFAIUSUJBP-ZZEZOPTASA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
9571107,Gemifloxacin,Drug,Compound,CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F,ZRCVYEYHRGVLOC-HYARGMPZSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Naphthyridines,Naphthyridine carboxylic acids and derivatives,none,none,none,none,none,none
9571444,NSC664335,OtherMutliCpd,Compound,CCCCCC(/C=N/NC1=CC=CC=C1)C(C(F)(F)F)(C(F)(F)F)O,BITMRBQVPNOJGA-FOKLQQMPSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylhydrazines,Phenylhydrazines,none,none,none,none,none,none
9571646,NSC694985,OtherMutliCpd,Compound,CCOC(=O)C(/C=N/NC(=O)C)NC1=C(C=C(C(=C1)NC(=O)OCC)NC(=O)C)OC,ARRNHPZTQZITMM-KEBDBYFISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid esters,none,none,none,none
9573945,Glucotropaeolin,OtherMutliCpd,Compound,C1=CC=C(C=C1)C/C(=N\OS(=O)(=O)O)/SC2C(C(C(C(O2)CO)O)O)O,QQGLQYQXUKHWPX-XNTDXEJSSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Glucosinolates,Alkylglucosinolates,none,none,none
9576416,Neoglucobrassicin,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,PKKMITFKYRCCOL-JMZFCNQTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Glucosinolates,Alkylglucosinolates,none,none,none
9578005,dexlansoprazole,Drug,Compound,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,MJIHNNLFOKEZEW-RUZDIDTESA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,Sulfinylbenzimidazoles,Sulfinylbenzimidazoles,none,none,none,none,none,none
9578572,Dabigatran etexilate,Drug,Compound,CCCCCCOC(=O)/N=C(\C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)/N,KSGXQBZTULBEEQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzimidazoles,none,Benzimidazoles,none,none,none,none,none,none
9601691,Glucobrassicin,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C/C(=N\OS(=O)(=O)O)/SC3C(C(C(C(O3)CO)O)O)O,DNDNWOWHUWNBCK-LDADJPATSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Glucosinolates,Alkylglucosinolates,none,none,none
9604652,Pyriminobac-methyl,OtherMutliCpd,Compound,C/C(=N\OC)/C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC,USSIUIGPBLPCDF-KEBDBYFISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Diarylethers,none,none,none,none,none,none
9690109,Armodafinil,Drug,Compound,C1=CC=C(C=C1)C(C2=CC=CC=C2)[S@](=O)CC(=O)N,YFGHCGITMMYXAQ-LJQANCHMSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
9793908,"3	6-Dimethyl-2(3H)-benzofuranone",OtherMutliCpd,Compound,CC1C2=C(C=C(C=C2)C)OC1=O,JSJKAEKKWQOCEZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
9796282,(+)-Ligballinol,OtherMutliCpd,Compound,C1C2C(COC2C3=CC=C(C=C3)O)C(O1)C4=CC=C(C=C4)O,AYMLHOROIXAYPH-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
9799500,Justisolin,OtherMutliCpd,Compound,C1C2C(COC2C3=CC4=C(C=C3O)OCO4)C(O1)C5=CC6=C(C=C5)OCO6,KQRXQIPRDKVZPW-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,none,Furanoid lignans,none,none,none,none,none,none
9799506,xanthohumol B,OtherMutliCpd,Compound,CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)O)C,GUQGMEWOCKDLDE-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
9804114,Katonic acid,OtherMutliCpd,Compound,C[C@]12CC[C@@](C[C@H]1C3=CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,JZFSMVXQUWRSIW-MCLQAGPZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
9804518,ZINC13434531,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O,XENHPQQLDPAYIJ-HACFZNPLSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
9804842,Egcg3''me,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O,WVRDOLPMKOCJRJ-DENIHFKCSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
9807776,Armillaramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O,IVBULNXGVIHEKN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Phytoceramides,none,none,none,none,none,none
9810915,Emblicanin A,OtherMutliCpd,Compound,C1C2C(C(=C(C(=O)O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O,UEHSSTYZXFBDNL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
9810941,MolPort-001-741-668,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCCN(C(=O)/C=C/C2=CC=C(C=C2)O)CCCCN(C(=O)/C=C/C3=CC=C(C=C3)O)CCCNC(=O)/C=C/C4=CC=C(C=C4)O)O,KKJYIHSXTUGJLP-BRJCPHQQSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
9815514,cotinine N-oxide,OtherMutliCpd,Compound,CN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)[O-],CIPULDKLIIVIER-VIFPVBQESA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
9815515,5'-hydroxycotinine,OtherMutliCpd,Compound,CN1C(=O)CC[C@]1(C2=CN=CC=C2)O,BBNHNZGTKSWIHD-SNVBAGLBSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
9815560,Streptokinase,Drug,Compound,C1CCC(CC1)C2CC(NC2)C(=O)O,XRZWVSXEDRYQGC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
9816081,Citric Acid Isopropyl Ester,OtherMutliCpd,Compound,CC(C)OC(=O)CC(CC(=O)O)(C(=O)O)O,SKHXHUZZFVMERR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
9817607,Nordihydrocapsiate,OtherMutliCpd,Compound,CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC,BXBVPYSHEOQGHP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
9817954,7b-Hydroxydehydroepiandrosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O,OLPSAOWBSPXZEA-GCNMQWDSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9817955,"11beta	17beta-Dihydroxyandrost-4-en-3-one",OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@H]4O)C)O,YQDZGFAYWGWSJK-UALLODJUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9818021,5-Androstenetriol,OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)O)C)O,GUGSXATYPSGVAY-DHKQUUGRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9819225,cajaninstilbene acid,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C(=O)O)/C=C/C2=CC=CC=C2)OC)C,XPDYDSQPCFQSLH-ZHACJKMWSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
9819315,"2'	7-Dihydroxy-4'-methoxy-8-prenylflavan",OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)OC)O)O)C,LCGZWKGCXCRMAL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,none,none,none,none,none,none
9819600,Gibberellin GA3,OtherMutliCpd,Compound,C[C@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,IXORZMNAPKEEDV-SNTJWBGVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
9823230,493-35-6,OtherMutliCpd,Compound,CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C,WZVWUSABZGIQJZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
9829021,Calcium hexadecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ca+2],HRBZRZSCMANEHQ-UHFFFAOYSA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
9832154,Emblicanin B,OtherMutliCpd,Compound,C1C2C(C3=C(C(=O)O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O,JNSDMRUXOVAXNP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
9833444,Sincalide,Drug,Compound,CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)N,IZTQOLKUZKXIRV-YRVFCXMDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
9833996,Ethyl 3-mercaptobutyrate,OtherMutliCpd,Compound,CCOC(=O)CC(C)S,FPBCNQQYLDBWMH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
9835588,Glucosylisomaltol,OtherMutliCpd,Compound,CC(=O)C1=C(C=CO1)OC2C(C(C(C(O2)CO)O)O)O,RRYYNIJTMYUJDC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
9835719,"5a-Androstane-3b	17a-diol",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@H]2O)CCC4[C@@]3(CC[C@@H](C4)O)C,CBMYJHIOYJEBSB-ILNNWSBUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9835868,Palmitoleoyl-EA,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)NCCO,WFRLANWAASSSFV-FPLPWBNLSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
9837024,S-(Allylthio)-L-cysteine,OtherMutliCpd,Compound,C=CCSSCC(C(=O)O)N,WYQZZUUUOXNSCS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
9837728,156679-39-9,OtherMutliCpd,Compound,CC1CCC(C(C1)OC(=O)OCCO)C(C)C,JFKCVAZSEWPOIX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
9838021,Tapentadol hydrochloride,Drug,Compound,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C.Cl,ZELFLGGRLLOERW-YECZQDJWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
9839084,9-OxoODE,OtherMutliCpd,Compound,CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O,LUZSWWYKKLTDHU-ZJHFMPGASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
9839519,capsiate,OtherMutliCpd,Compound,CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC,ZICNYIDDNJYKCP-SOFGYWHQSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
9840292,4-O-beta-D-glucosyl-4-coumaric acid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,LJFYQZQUAULRDF-FDGSXQGBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
9842235,CHEMBL151459,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CCC1CCC2=C(O1)C=CC(=C2)O)/C)/C)C,WSTGHGHPTQPFAP-YARIIHNNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
9844470,490-23-3,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O,FGYKUFVNYVMTAM-NTZRDTQNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
9844898,"7-Hydroxy-3	3'	4'	5	6	8-hexamethoxyflavone",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC)OC)OC,LIHVLVGTXLTMAQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
9845243,Coixinden A,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=O)C=C2OC,XYQHDIQOTJVFDF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indenes and isoindenes,none,Indenes and isoindenes,none,none,none,none,none,none
9845244,Coixinden B,OtherMutliCpd,Compound,CC(=O)C1(C=C(C2=C1C=CC(=C2)OC)OC)O,BIUULCNWWFDCPG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indenes and isoindenes,none,Indenes and isoindenes,none,none,none,none,none,none
9845260,SCHEMBL744305,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C(=C(C=C3OC2)O)CC=C(C)C)OC)O)C,GBRZTUJCDFSIHM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,5-O-methylated isoflavonoids,none,none,none,none,none,none
9847548,11-Keto-beta-boswellic acid,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C,YIMHGPSYDOGBPI-YZCVQEKWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
9852308,998-07-2,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,NEZDNQCXEZDCBI-WJOKGBTCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
9854489,Fluticasone furoate,Drug,Compound,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F,XTULMSXFIHGYFS-VLSRWLAYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
9854614,d-Tocotrienol,OtherMutliCpd,Compound,CC1=C2C(=CC(=C1)O)CCC(O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,ODADKLYLWWCHNB-QRCIITMISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
9855559,2(R)-Hydroxyadipic acid,OtherMutliCpd,Compound,C(C[C@H](C(=O)O)O)CC(=O)O,OTTXIFWBPRRYOG-SCSAIBSYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
9857254,"5a-Androstane-3a	17a-diol",OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O,CBMYJHIOYJEBSB-CUZKMJQKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9858729,Pinellic acid,OtherMutliCpd,Compound,CCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCC(=O)O)O)O)O,MDIUMSLCYIJBQC-MVFSOIOZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
9860744,Prasterona,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,FMGSKLZLMKYGDP-INNQQZFDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9861088,Avenanthramide 1c,OtherMutliCpd,Compound,C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O,LLPIRWBXMYKFQM-SOFGYWHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
9862307,Palmitoyl Serinol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NC(CO)CO,MZUNFYMZKTWADX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,N-acyl amines,none,none,none,none,none,none
9862769,MORACHALCONE A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C,NXBYIJSAISXPKJ-WEVVVXLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
9863245,tetrahydro-Corticosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CCC3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O,RHQQHZQUAMFINJ-DSCSGEDNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
9865442,loteprednol,Drug,Compound,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)OCCl)O)CCC4=CC(=O)C=C[C@]34C)O,YPZVAYHNBBHPTO-MXRBDKCISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
9867602,Melleolide K,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1Cl)O)O)C(=O)OC2CC3(C2(C(=CC4C3CC(C4)(C)C)C=O)O)C,UHFQTECWVLYLBG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
9872976,Proanthocyanidin A1,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C3[C@@H]4[C@H]([C@@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O,NSEWTSAADLNHNH-TXZJYACMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
9873754,dihydrocapsiate,OtherMutliCpd,Compound,CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC,RBCYRZPENADQGZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
9874426,Neogrifolin,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O,JWDIUXFSIWOGDP-VZRGJMDUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
9877306,lipid A,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,GZQKNULLWNGMCW-PWQABINMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
9882882,Nicotianamine,OtherMutliCpd,Compound,C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,KRGPXXHMOXVMMM-CIUDSAMLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
9883304,Laccaic acid D,OtherMutliCpd,Compound,CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=CC(=CC(=C3C2=O)O)O,DDTNCHWMNZLWKO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
9884612,MEGxp0_000857,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O,LCAZOMIGFDQMNC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
9887390,eta-Tocopherol,OtherMutliCpd,Compound,CC1=C(C=C2CCC(OC2=C1)(C)CCCC(C)CCCC(C)CCCC(C)C)O,PZZKGQBMBVYPGR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
9894294,"2	6-Cyclolycopene-1	5-diol",OtherMutliCpd,Compound,CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(CCC1(C)O)C(C)(C)O)/C)/C)/C)C,VDFVQEJGOSCZNZ-HNNISBQLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquaterpenoids,Sesquaterpenoids,none,none,none,none,none,none
9897871,No_auto_id,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1C)OC(CC2)(C/C=C/C(=O)CC(=O)C)C)C)O.CC1=C2OC(CCC2=C(C(=C1C)OC(=O)C)C)(C/C=C/C(=O)CC(=O)/C=C/CC3(OC4=C(C(=C(C(=C4CC3)C)OC(=O)C)C)C)C)C,STEBXSCCMKRNFN-NZCDHXEHSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
9898836,Methyl 3-sulfanylbutanoate,OtherMutliCpd,Compound,CC(CC(=O)OC)S,BHDKXXOGPCSBQI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid methyl esters,none,none,none,none,none,none
9900246,19-Nor-5-androstenediol,OtherMutliCpd,Compound,C[C@]12CC[C@@H]3[C@H]4CC[C@@H](CC4=CC[C@H]3[C@@H]1CC[C@@H]2O)O,VVUQRXPUVKXAIO-XFUVECHXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
9904001,13-cis-Retinol,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\CO)/C)/C,FPIPGXGPPPQFEQ-HWCYFHEPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
9905016,Rosmaridiphenol,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)CCC3C(C2=O)CCCC3(C)C)O)O,WIEOUDNBMYRSRD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
9907219,SuperTin,OtherMutliCpd,Compound,C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.[OH-],BFWMWWXRWVJXSE-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
9909408,UNII-70M92GQA9T,OtherMutliCpd,Compound,CC(=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3,WDQNIWFZKXZFAY-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
9911040,Calcium laurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ca+2],HIAAVKYLDRCDFQ-UHFFFAOYSA-L,none,none,none,none,none,none,none,none,none,none,none
9913968,Malonyldaidzin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O,MTXMHWSVSZKYBT-ASDZUOGYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
9914775,VPGPR Enterostatin,OtherMutliCpd,Compound,CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N,QVZKZDOWTVQTPL-OVWQWFNUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
9915833,Isomorellic acid,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C4=CC5CC6C4(O2)C(C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)C,COVMVPHACFXMAX-YVLHZVERSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
9915926,Eltrombopag olamine,Drug,Compound,CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N/N=C/3\C=CC=C(C3=O)C4=CC(=CC=C4)C(=O)O)C.C(CO)N.C(CO)N,TYYXAUPVEKKAFG-HTQZHWFGSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
9916860,SCHEMBL14834269,Drug,Compound,C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O.[Gd],GFSPKZNFROVOEB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
9920917,Dehydrochorismic acid,OtherMutliCpd,Compound,C=C(C(=O)O)OC1=C(C=CC(=C1)C(=O)O)O,LKNPFOZIOWXDQS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenoxyacetic acid derivatives,Phenoxyacetic acid derivatives,none,none,none,none,none,none
9925515,5'-OH-O-Dma,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)O)C(=O)C2=CC(=C(C=C2O)O)O,MPGFHNNVFUGPOX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Alpha-methyldeoxybenzoin flavonoids,none,Alpha-methyldeoxybenzoin flavonoids,none,none,none,none,none,none
9926066,ACMC-20mrza,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)N)(C(=O)O)O,RMLYXMMBIZLGAQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
9926336,Santal,OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)O)O,OEYQBKYISMRWQB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
9929676,Persenone A,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCC/C=C/C(=O)CC(COC(=O)C)O,YLWJMUPPJKELEC-GQQAEKEGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
9929901,Tocotrienol,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CCC1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C,GJJVAFUKOBZPCB-ZGRPYONQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
9938091,Proanthocyanidin A5',OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C3[C@H]4[C@@H]([C@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O,NSEWTSAADLNHNH-JXCVSLFXSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
9938436,Sitosteryl ferulate,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C)C(C)C,ROUSJNZGMHNWOS-OJJOFZOASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
9941060,Isopeonidin 3-glucoside,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,CNTWHHYMFNSRNJ-OUUKCGNVSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
9942770,Apional,OtherMutliCpd,Compound,COC1=C2C(=C(C(=C1)/C=C/C=O)OC)OCO2,WTHYSOXPCHPBOG-ONEGZZNKSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
9943542,alpha-Cehc,OtherMutliCpd,Compound,CC1=C(C(=C2CCC(OC2=C1C)(C)CCC(=O)O)C)O,AXODOWFEFKOVSH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
9943917,Phenylbutyrylglutamine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCCC(=O)NC(CCC(=O)N)C(=O)O,XKQKXKRCMAJADR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
9944143,Barpisoflavone A,OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)OC=C(C2=O)C3=C(C=C(C=C3)O)O,TUTSVLUUGMNALO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
9945189,SCHEMBL17615401,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O,VADSVXSGIFBZLI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
9945785,3-p-coumaroylquinic acid,OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O,BMRSEYFENKXDIS-QHAYPTCMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
9947802,"2'	6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone",OtherMutliCpd,Compound,CC1=C(C=C(C(=C1O)C(=O)CCC2=CC=CC=C2)O)OC,BMBFYUFAFGLKJJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
9947823,9-cis-Retinol,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\CO)\C)/C,FPIPGXGPPPQFEQ-MKOSUFFBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
9950661,"Hypolaetin 7	8	3'	4'-tetramethyl ether",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC,HIUKQMVQSJHRNC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
9950773,7-Methylrosmanol,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)OC)O)O,XNPVHIQPSAZTLC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
9954527,"3-(2	3-Dihydroxypropoxy)-2-hydroxypropyl stearate",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O,DUUKZBGYNMHUHO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,1-alkyl--3-acylglycerols,none,none,none,none,none,none
9962735,ubiquinol-10,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,QNTNKSLOFHEFPK-UPTCCGCDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Prenylated hydroquinones,Polyprenyl quinols,none,none,none,none,none
9963687,HYODEOXYCHOLIC ACID,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4[C@@]3(CC[C@H](C4)O)C)O)C,DGABKXLVXPYZII-CDONHWFASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
9964407,Hexyl 3-sulfanylbutanoate,OtherMutliCpd,Compound,CCCCCCOC(=O)CC(C)S,HDYQKQAKXIPCAP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
9966640,Leukotoxin diol,OtherMutliCpd,Compound,CCCCC/C=C\CC(C(CCCCCCCC(=O)O)O)O,XEBKSQSGNGRGDW-YFHOEESVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
9970687,Panaquinquecol 7,OtherMutliCpd,Compound,CCCCCCCC1C(O1)CC#CC#CC(=O)CCO,XEUPFPHHPCQXFV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
9971218,107585-77-3,OtherMutliCpd,Compound,C1C(C(=O)C2=C(C=C(C=C2O1)O)O)CC3=CC=C(C=C3)O,FIASLUPJXGTCKM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
9972843,"3L	7D	11D-Phytanate",OtherMutliCpd,Compound,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CC(=O)O,RLCKHJSFHOZMDR-QRVBRYPASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
9972910,Gnaphaliin,OtherMutliCpd,Compound,COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O,OWQLBLNRUZULFV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
9974117,SCHEMBL4623423,OtherMutliCpd,Compound,CCCCOC(=O)CC(C(C(=O)OCCCC)O)(C(=O)OC)O,JRMBFEKUMNWOIE-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
9974595,PIPERNONALINE,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3,PKLGRWSJBLGIBF-JMQWPVDRSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
9975970,Murrayanol,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C3=C(N2)C(=C(C=C3)O)C/C=C(\C)/CCC=C(C)C)OC,RTEIBQDXHHQYRJ-CXUHLZMHSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
9976815,Cinnatriacetin A,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OCC#CC#CC#CC/C=C\CCCC(=O)O)O,UGVOYXYFLWZKOM-MJLPGFBBSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Coumaric acid esters,none,none,none,none,none
9979523,Brosimone I,OtherMutliCpd,Compound,CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)O,AXHZIEAQVMBUKO-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
9981005,"2(3H)-Furanone	 dihydro-3	4-bis[(3	4	5-trimethoxyphenyl)methyl]-",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC,VUNCHONBJWJYID-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
9981481,Atrovirinone,OtherMutliCpd,Compound,CC(=CCC1=C(C(=O)C(=C(C1=O)OC)OC2=CC(=CC(=C2C(=O)OC)O)O)CC=C(C)C)C,AATISISCRVORPT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Prenylquinones,Ubiquinones,none,none,none,none,none
9989779,4-acetylbenzo[d]oxazol-2(3H)-one,OtherMutliCpd,Compound,CC(=O)C1=C2C(=CC=C1)OC(=O)N2,FZAQRVWPQCXSPC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazoles,Benzoxazolones,Benzoxazolones,none,none,none,none,none,none
9991610,Scopoletin acetate,OtherMutliCpd,Compound,CC(=O)OC1=C(C=C2C=CC(=O)OC2=C1)OC,HYCLWDHZALFLJV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
9992755,"2H-Pyran-2-one	 4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-",OtherMutliCpd,Compound,COC1=CC=C(C=C1)CCC2=CC(=CC(=O)O2)OC,CZCOHVXNUPVUBC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
9994897,n-caffeoyltyramine,OtherMutliCpd,Compound,C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O,VSHUQLRHTJOKTA-XBXARRHUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
9995780,4-Oxo-13-cis-retinoate,OtherMutliCpd,Compound,CC1=C(C(C(=O)CC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,YOFBBAJVETYSCH-IWRFDTMXSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
10001145,Shoyuflavone B,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(C(C(=O)O)O)C(=O)O)O,YZECNQRIFYQRPI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
10002448,146905-24-0,OtherMutliCpd,Compound,CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)O)OC4=CC(=C(C=C42)O)O)OC(=O)C,YJCDGKMVAYETOP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Phenylbenzofurans,Phenylbenzofurans,none,none,none,none,none,none
10006384,54542-51-7,OtherMutliCpd,Compound,CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O,IGLUNMMNDNWZOA-LNNZMUSMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
10009398,Janthitrem F,OtherMutliCpd,Compound,CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7O)(C)C)(C)C)C)O)C)OC1C(C)(C)O,SHMYDSYGDWIPKT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
10016749,Muricatacin,OtherMutliCpd,Compound,CCCCCCCCCCCCC(C1CCC(=O)O1)O,VFLQJBVJJLGBKM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
10016895,citrusinine-II,OtherMutliCpd,Compound,CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC,QEGXAAUCDUFHPJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10017580,"4-(3-Hydroxy-7-phenyl-6-heptenyl)-1	2-benzenediol",OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/CCC(CCC2=CC(=C(C=C2)O)O)O,OELWYQGRQUQQPD-XBXARRHUSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
10018533,"12-Hydroxy-7-oxo-8	11	13-abietatrien-18-al",OtherMutliCpd,Compound,CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C=O)C)O,WWTJTTLCNJCBCJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
10019512,3-O-Methylviolanone,OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)[C@H]2COC3=C(C2=O)C=CC(=C3)O)OC)OC,IFIRIIBDWLSFFH-CYBMUJFWSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
10021298,Glicophenone,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C(C=C1O)O)CC(=O)C2=C(C=C(C=C2)O)O)OC)C,JYRFVDHHGPHQBG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10022050,xanthoangelol E,OtherMutliCpd,Compound,CC(=C)C(CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)OO,AJERVVHSERWGFL-UXBLZVDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
10023017,Shoyuflavone A,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(C(C(=O)O)O)C(=O)O)O,BZUOOSAINABLAK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
10035593,"2-Hydroxy-3-(3	4-dihydroxyphenyl)propanamide",OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)N)O)O)O,UZRUFOMXLWRIQS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
10036413,Brassitin,OtherMutliCpd,Compound,CSC(=O)NCC1=CNC2=CC=CC=C21,GHGDPZHQDKPWOJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10039032,"1-phenyl-1	3-dodecanedione",OtherMutliCpd,Compound,CCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,DNOUOXHKVWWDSS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10039429,(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/CCC(CCC2=CC=C(C=C2)O)O,PXPIJNMPDAFWSF-XBXARRHUSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
10040237,"1	2' thiazolidine]",OtherMutliCpd,Compound,COC1C2(CN=C(S2)SC)C3=CC=CC=C3N1OC,KJSKSCBVIGFOKZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
10040339,CHEMBL490271,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O,UNMNJFPAJOHXMT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
10048103,MANGOSTANOL,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1OC)O)OC3=CC4=C(CC(C(O4)(C)C)O)C(=C3C2=O)O)C,KCMPFWGUVNEDHW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10053287,BL II,OtherMutliCpd,Compound,CC(=O)OC1=C(C=C2C(=C1)C3=C(O2)C(=C(C(=C3OC(=O)C)OC(=O)C)C4=CC=C(C=C4)O)OC(=O)C)OC(=O)C,BKYOIMKDXAUYEQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Pentacarboxylic acids and derivatives,Pentacarboxylic acids and derivatives,none,none,none,none,none,none
10058925,3-Methyl-9H-carbazole-9-carbaldehyde,OtherMutliCpd,Compound,CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C=O,ODQBPNZNDIOBFN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,N-acylcarbazoles,none,none,none,none,none,none
10060886,(+)-Setoclavine,OtherMutliCpd,Compound,CC1(CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)O,BGVUWLLRNRBDAY-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Clavines and derivatives,Clavines and derivatives,none,none,none,none,none,none
10063343,CHEMBL2042447,OtherMutliCpd,Compound,CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1,KKSIGOUTTVXAKQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
10067873,CTK8I9120,OtherMutliCpd,Compound,CC(C(C1=CC2=C(C=C1)OCO2)O)OC3=C(C=C(C=C3OC)CC=C)OC,RRMZKOOCNBRGQT-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
10070028,3'-geranylchalconaringenin,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)O)/C)C,GVXVZXDPRNGAOE-ZCFXJLACSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
10070618,Shoyuflavone C,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3O)OC(C(C(=O)O)O)C(=O)O)O)O,DGJSSBCAHRQASY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
10071572,Artobiloxanthoe,OtherMutliCpd,Compound,CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)O)O)OC4=C5C=CC(OC5=CC(=C4C2=O)O)(C)C,ZIYAGIMFLYOZDS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10072454,Dihydrocycloartomunin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=CC(=C(C=C43)O)O)C=C(C)C)O)OC)C,FIYIGIGIGDUJQB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
10084050,Tetrahydroyangonin,OtherMutliCpd,Compound,COC1=CC(=O)OC(C1)CCC2=CC=C(C=C2)OC,IZGFAKZIDOQLHS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
10085008,Murrayamine A,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=C(N3)C=C(C=C4)O)C=CC(O2)(C)C,RIEXGJSQJLHVLX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10085385,Myrigalone H,OtherMutliCpd,Compound,CC1=C(C=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)O,ZDJYWPQCNAPESX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
10085389,methoxyanigorufone,OtherMutliCpd,Compound,COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O,NXRGWQRQXPUQSX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10086169,Myrigalon B,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1OC)C)O)C(=O)CCC2=CC=CC=C2)O,SGSWJLOWQDDBPP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
10087955,Avenanthramide B,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O,JXFZHMCSCYADIX-XVNBXDOJSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
10088114,4-Glucogallic acid,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C(=O)O,YPSNWSNUXIIKHO-YANYRWCTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
10095293,Dihydroisocycloartomunin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=CC(=C(C=C43)OC)O)C=C(C)C)O)O)C,JFHXTPDDKBBGNW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
10095499,Macrocarpal G,OtherMutliCpd,Compound,CC(C)CC(C1=C(C(=C(C(=C1O)C=O)O)C=O)O)C2(CCC3C2C4C(C4(C)C)CCC3=C)C,IEWHEHWXBLPFER-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
10100278,"1-{[4-hydroxy-3-({6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1	2	3	4-tetrahydroisoquinolin-7-yl}oxy)phenyl]methyl}-6-methoxy-2-methyl-1	2	3	4-tetrahydroisoquinolin-7-ol",OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)OC,AJPXZTKPPINUKN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
10100906,"Delphinidin 3	5-diglucoside",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,XCTGXGVGJYACEI-LCENJUANSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
10103208,2-Hydroxy-4-oxopentanoic acid,OtherMutliCpd,Compound,CC(=O)CC(C(=O)O)O,QTSNVMMGKAPSRT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
10103438,6-hydroxy-1H-indole-3-carbaldehyde,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)NC=C2C=O,FAFBOYSDWMRMLQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
10104953,Allocystathionine,OtherMutliCpd,Compound,C(CSCC(C(=O)O)N)[C@@H](C(=O)O)N,ILRYLPWNYFXEMH-ROLXFIACSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
10105653,Marcanin A,OtherMutliCpd,Compound,CC1=CC(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O,GYAHTYNHCVTZOK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Benzoquinolines,none,none,none,none,none,none
10106139,2-Methoxycanthin-6-one,OtherMutliCpd,Compound,COC1=NC2=C3C(=C1)C4=CC=CC=C4N3C(=O)C=C2,CDWAXMGQLZGHDU-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Indolonaphthyridine alkaloids,none,Indolonaphthyridine alkaloids,none,none,none,none,none,none
10108584,Coutaric acid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OC(C(C(=O)O)O)C(=O)O)O,INYJZRKTYXTZHP-ZZXKWVIFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Coumaric acid esters,none,none,none,none,none
10126440,SCHEMBL5872218,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCC/C=C/C(=O)CC(COC(=O)C)O,RCVPNKIEBGIOFR-APUJEFNWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
10127573,N-Arachidoyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,PMYMGHIVWFOOOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10130220,L-gulopyranose,OtherMutliCpd,Compound,C([C@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O,WQZGKKKJIJFFOK-QRXFDPRISA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
10143380,No_auto_id,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O,ROQLTZUOXIQBDO-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
10174581,N-Lignoceroyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,LQPINJBBNVSTDE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10176752,N-Nonanoylglycine,OtherMutliCpd,Compound,CCCCCCCCC(=O)NCC(=O)O,JXDFEUKNHBHUCP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
10177002,Isobutyryl-L-carnitine,OtherMutliCpd,Compound,CC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C,LRCNOZRCYBNMEP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
10178463,cis-Piceid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,HSTZMXCBWJGKHG-BUFXCDORSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
10189090,QYNAD,OtherMutliCpd,Compound,C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)N)N,WKBAPRRMZYHPNB-BXBUPLCLSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
10197713,3R-hydroxy-hexanoic acid,OtherMutliCpd,Compound,CCC[C@H](CC(=O)O)O,HPMGFDVTYHWBAG-RXMQYKEDSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
10198007,N-(gamma-Glutamyl)ethanolamine,OtherMutliCpd,Compound,C(CC(=O)NCCO)C(C(=O)O)N,DGBJQQBLTDLFMF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
10198648,Balenine,OtherMutliCpd,Compound,CN1C=C(N=C1)C[C@@H](C(=O)O)NC(=O)CCN,SLRNWACWRVGMKD-QMMMGPOBSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
10198924,87-67-2,OtherMutliCpd,Compound,C[N+](C)(C)CCO.C(C(C(=O)[O-])O)(C(=O)O)O,QWJSAWXRUVVRLH-UHFFFAOYSA-M,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,none,none,none,none,none,none
10199004,Monomenthyl succinate,OtherMutliCpd,Compound,CC1CCC(C(C1)OC(=O)CCC(=O)O)C(C)C,BLILOGGUTRWFNI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
10219774,Hydroxycotinine,OtherMutliCpd,Compound,CN1[C@@H](CC(C1=O)O)C2=CN=CC=C2,XOKCJXZZNAUIQN-IENPIDJESA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
10220444,"Menthyl 3-hydroxybutyrate	 (-)-",OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)O)C(C)C,XSJPRWBZLUYOOI-IBSWDFHHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
10220719,"2-Propen-1-one	 1-(2	4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-",OtherMutliCpd,Compound,C=C(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O,MPNKZWIUITZJCR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10221026,Acetylcarnosine,OtherMutliCpd,Compound,CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(=O)O,BKAYIFDRRZZKNF-SECBINFHSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
10228095,6''-O-ACETYLGLYCITIN,OtherMutliCpd,Compound,CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O,DUBPGEJGGVZKDD-PFKOEMKTSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
10236014,"2	3	6-trimethylbenzaldehyde",OtherMutliCpd,Compound,CC1=C(C(=C(C=C1)C)C=O)C,NHMDCMLCZRILTI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
10236635,"12	13-DiHOME",OtherMutliCpd,Compound,CCCCCC(C(C/C=C\CCCCCCCC(=O)O)O)O,CQSLTKIXAJTQGA-FLIBITNWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
10241527,Pyrocoll,OtherMutliCpd,Compound,C1=CN2C(=C1)C(=O)N3C=CC=C3C2=O,USCZWOZHDDOBHQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
10244594,Agaritinal,OtherMutliCpd,Compound,C1=CC(=CC=C1C=O)NNC(=O)CCC(C(=O)O)N,OLPOUQMVOMXOGV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
10244953,piperettine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/C=C/C=C/C2=CC3=C(C=C2)OCO3,DLKOUKNODPCIHZ-UMYWTXKFSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
10245047,Avenanthramide E,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)O,FSKJPXSYWQUVGO-VQHVLOKHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
10245104,4'-Hydroxyenterolactone,OtherMutliCpd,Compound,C1[C@@H]([C@H](C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=C(C=C3)O)O,MJMVFOFWTGVQBW-DZGCQCFKSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
10250249,SCHEMBL14586438,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC,MQJGAHXKAZGEGI-NSLJXJERSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
10252339,Quercetin 3-arabinofuranoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O,BDCDNTVZSILEOY-BQCJVYABSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
10253562,Sulfolithocholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C,AXDXVEYHEODSPN-YPLGJCPNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Bile acids-- alcohols and derivatives,none,none,none,none,none,none
10255010,Rubraflavone C,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(OC2=CC(=C(C(=C2C1=O)O)CC=C(C)C)O)C3=C(C=C(C=C3)O)O)/C)C,RHAIJKNXAULKGF-VXLYETTFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
10255824,C14 Dihydroceramide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O,UDTSZXVRDXQARY-IOWSJCHKSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
10264377,"1	3-Propanediol	 2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCCO)OC(CO)CO,WAPGRPJEBCULTQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
10265811,N-Methoxyspirobrassinol,OtherMutliCpd,Compound,CON1C(C2(CN=C(S2)SC)C3=CC=CC=C31)O,YMIMEAOCSJOCSI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
10267199,2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid,OtherMutliCpd,Compound,C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O,XFTWUNOVBCHBJR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
10276632,Biotripyrrin-b,OtherMutliCpd,Compound,CC1=C(/C(=C\C2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C=C)C)C)CCC(=O)O)/NC1=O)CCC(=O)O,PMIYFUGIVLGYIZ-WOEXBRBNSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
10286365,11beta-Hydroxyandrosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O,PIXFHVWJOVNKQK-PTXZMSDUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
10298511,Garcinone E,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C(=C3O2)CC=C(C)C)O)O)CC=C(C)C)O)C,WVJYEKGQSBGNRP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10298558,Biotripyrrin-a,OtherMutliCpd,Compound,CC1=C(/C(=C\C2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/NC1=O)CCC(=O)O,DXWHHYOVLWSVQD-WOEXBRBNSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
10311044,N-behenoyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,HAWFHRQOMIMGFR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10313247,Octaneperoxoic Acid,OtherMutliCpd,Compound,CCCCCCCC(=O)OO,CVXHBROPWMVEQO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Peroxycarboxylic acids and derivatives,Peroxycarboxylic acids,none,none,none,none,none,none
10313383,Leucoaminochrome,OtherMutliCpd,Compound,CN1CC(C2=CC(=C(C=C21)O)O)O,ADHYBIYGSXQYDM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
10315987,Cyclocommunol,OtherMutliCpd,Compound,CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC(=CC(=C4C2=O)O)O)C,VHNPAPHWKVLGHG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
10317002,7-Hydroxydehydroglaucine,OtherMutliCpd,Compound,CN1CCC2=CC(=C(C3=C2C1=C(C4=CC(=C(C=C43)OC)OC)O)OC)OC,XTYGTYHSWAJTPX-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
10317069,Xanthohumol D,OtherMutliCpd,Compound,CC(=C)C(CC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)O)O,IIWLGOCXDBSFCM-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
10327320,Bismahanine,OtherMutliCpd,Compound,CC1=C2C(=C3C(=C1)C4=C(N3)C(=C(C=C4)O)C5=C(C=C6C(=C5)C7=CC(=C8C(=C7N6)C=CC(O8)(C)CCC=C(C)C)C)O)C=CC(O2)(C)CCC=C(C)C,DUWZYYIUQUHQBX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10328904,Mytilus small cardioactive peptide,OtherMutliCpd,Compound,C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)N,KGNBMVHUZCHPPM-RSOQHMFVSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
10330295,"Benzamide	 2-(ethylamino)-4	5-dihydroxy-",OtherMutliCpd,Compound,CCNC1=CC(=C(C=C1C(=O)N)O)O,VAWDXOCBSZJIEL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,Anthranilamides,none,none,none,none,none
10331015,CHEMBL484460,OtherMutliCpd,Compound,COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O,VMFVSNYOKIVXJO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Hydroxyquinolines,Hydroxyquinolines,none,none,none,none,none,none
10332932,Dehydro-4-methoxycyclobrassinin,OtherMutliCpd,Compound,COC1=CC=CC2=C1C3=CN=C(SC3=N2)SC,JDYSKRAQSOYTDY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
10338075,xanthohumol C,OtherMutliCpd,Compound,CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)C,CVMUWVCGBFJJFI-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
10338211,3'-Hydroxy-4'-O-methylglabridin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)OC)O)O)C,PPBISUGOQDBBEL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
10339247,Mammea B/BB,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)CC)O)CC=C(C)C)O,FSOGIJPGPZWNGO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
10340350,CHEMBL34331,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C,NEIURIYDQMKXIG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,3'-prenylated flavans,3'-prenylated flavanones,none,none,none,none,none
10341941,dihydrodaidzin,OtherMutliCpd,Compound,C1C(C(=O)C2=C(O1)C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O,KKJXSJGKUZBVIH-RGHIGTIISA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
10342292,Kuwanon E,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C(C(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)/C)C,GJFHZVPRFLHEBR-VIZOYTHASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,3'-prenylated flavans,3'-prenylated flavanones,none,none,none,none,none
10342405,Atrovirisidone,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C(=C1O)OC)OC3=CC(=CC(=C3C(=O)O2)O)O)CC=C(C)C)C,KGIATYCAIYWYED-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Depsides and depsidones,none,Depsides and depsidones,none,none,none,none,none,none
10344454,BL IV,OtherMutliCpd,Compound,CC(=O)OC1=C(C(=C(C2=C1OC3=CC(=C(C=C32)O)O)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)O,DTOIFOOSMQSUBD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Phenylbenzofurans,Phenylbenzofurans,none,none,none,none,none,none
10347565,Schizotenuin F,OtherMutliCpd,Compound,COC(=O)/C(=C/C1=CC(=C(C=C1)O)O)/OC2=C(C=C(C=C2)/C=C/C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O,JRSJLGASDWZQGF-ILWOKKNDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
10348020,Dipiperamide A,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/C2C(C(C2C3=CC4=C(OCO4)C=C3)/C=C/C(=O)N5CCCCC5)C6=CC7=C(OCO7)C=C6,WXSSVJXPONXCFP-UTLPMFLDSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
10348545,Hericenone G,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC,GGXBOOLRGQUWIV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
10348646,Janthitrem E,OtherMutliCpd,Compound,CC1(C=C2C(C(C3=C2C=C4C(=C3)C5=C(N4)C6(C(C5)CCC7(C6(CCC8C7=CC(C(O8)C(C)(C)O)O)C)O)C)O)C(O1)(C)C)C,TVRIMSLYKUNOPS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
10350652,"Epicatechin-(4beta->8)-epicatechin-(2beta->7	4beta->8)-catechin",OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C3[C@@H]4[C@H]([C@](OC3=CC(=C21)O)(OC5=C4C(=CC(=C5[C@@H]6[C@H]([C@H](OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O,SRWJAXVAWDYXPA-ACNGEOCHSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
10354902,Ethyl 3-methyl-9H-carbazole-9-carboxylate,OtherMutliCpd,Compound,CCOC(=O)N1C2=C(C=C(C=C2)C)C3=CC=CC=C31,OZYJBMQHTNVEAD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10357912,Azacridone A,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C=NC=C4)C,GSYTWFSUSXURDO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromenopyridines,none,none,none,none,none,none
10360893,Licoagrodione,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1O)C(=O)C(=O)C2=C(C=C(C=C2)OC)O)O)C,KAQKSYKCXCTGOG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10361658,Glicoricone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)O)C,SSDIPYMSXRNGMZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
10364815,Bismurrayaquinone A,OtherMutliCpd,Compound,CC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3N2)C4=C(C(=O)C5=C(C4=O)NC6=CC=CC=C65)C,FKJFKIPTKQPIFB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10369168,"1	2-dimyristoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,JFBCSFJKETUREV-LJAQVGFWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
10371106,No_auto_id,OtherMutliCpd,Compound,CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7O)(C)C)(C)C)C)O)C)O,FYYNBFCZCKFSKS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
10375946,5-hexyl-2-oxooxolane-3-carboxylic acid,OtherMutliCpd,Compound,CCCCCCC1CC(C(=O)O1)C(=O)O,ZHNHBUOFMLNZNN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
10377789,"2-(3	4-Dihydroxyphenyl)-1	3-benzodioxole-5-carboxaldehyde",OtherMutliCpd,Compound,C1=CC2=C(C=C1C=O)OC(O2)C3=CC(=C(C=C3)O)O,GVZIWSSFZNAGTN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
10380830,"3D	7D	11D-Phytanic acid",OtherMutliCpd,Compound,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CC(=O)O,RLCKHJSFHOZMDR-GUDVDZBRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
10381323,"2	3-Dihydro-2	3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one",OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C3C(C(C(=O)C4=CC=CC(=C43)C=C2)O)O,GMMBTTCHJJMJKQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10381709,Demethoxykanugin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC,UBKPBGYXBIXFFC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
10381845,Sclareapinone,OtherMutliCpd,Compound,CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC(=O)C(C)(C)O,VDYQVYQVQLEJQY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
10382471,2-O-Acetyl-trans-coutaric acid,OtherMutliCpd,Compound,CC(=O)OC(C(C(=O)O)OC(=O)/C=C/C1=CC=C(C=C1)O)C(=O)O,AILCSCQIQZTQJR-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Coumaric acid esters,none,none,none,none,none
10385496,Euglobal IIb,OtherMutliCpd,Compound,CC(C)CC1CC2(CCC(C=C2)C(C)C)OC3=C(C(=C(C(=C13)O)C=O)O)C=O,IGHWKBGONDMTMG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
10387002,"Heptacosane-6	8-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O,VOOVQMDKNDAOJU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
10394234,Janthitrem G,OtherMutliCpd,Compound,CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7)(C)C)(C)C)C)O)C)OC1C(C)(C)O,PGYSJEQVCATFBQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
10394786,SCHEMBL16362146,OtherMutliCpd,Compound,CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O,KBAPHKOHTBBCTO-AWNIVKPZSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
10398072,Etrogol,OtherMutliCpd,Compound,CC(=CCOC1=CC=C(C=C1)CCO)C,IBVFUNAQXWFZQB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
10399059,"10	11-Epidioxycalamene",OtherMutliCpd,Compound,CC1=CC2=C(C=C1)C3(CCC2C(OO3)(C)C)C,ALXPNLYWXCZUCG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
10400369,Fructose 1-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O,RHKKZBWRNHGJEZ-ARQDHWQXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
10402297,demethoxyegonol,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CCCO,YQEPMZLWYOAQNI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
10403706,7-Hydroxy-6-Methoxy-alpha-pyrufuran,OtherMutliCpd,Compound,COC1=C(C=CC2=C1OC3=C2C(=C(C(=C3OC)OC)O)OC)O,QPJPNKHHNVCLCF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
10404353,prudomestin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O,HLSIOUXODPWHFI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
10404741,Dulciol D,OtherMutliCpd,Compound,CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C3)C=CO4)O,XYTVIOHQRFERMN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
10405091,Dulxanthone D,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1OC)O)OC3=CC(=CC(=C3C2=O)O)O)C,JZLXKPGAABLTJE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10408200,1-(2-hydroxy-3-methyl-9H-carbazol-1-yl)-3-methyl-9H-carbazol-2-ol,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C3=CC=CC=C3N2)C4=C5C(=CC(=C4O)C)C6=CC=CC=C6N5)O,BZVSIHKEOLSGNL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10409180,xanthoangelol B,OtherMutliCpd,Compound,CC(=C)C(CC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)O,NCHZAFAGBAEJJJ-BAYITLGHSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
10413926,BL III,OtherMutliCpd,Compound,CC(=O)OC1=CC=C(C=C1)C2=C(C3=C(C4=CC(=C(C=C4O3)O)O)C(=C2OC(=O)C)OC(=O)C)OC(=O)C,RCCVHCHMVALAKN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Phenylbenzofurans,Phenylbenzofurans,none,none,none,none,none,none
10414856,101140-06-1,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O,IQAMTZLKUHMPPE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
10415542,1-docosahexaenoyl-glycero-3-phosphocholine,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,LSOWKZULVQWMLY-APPDJCNMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
10415767,Pavetannin A2,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C3[C@H]4[C@@H]([C@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O,NSEWTSAADLNHNH-VCFSXNJSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
10416073,"[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3	4-dihydro-2H-1-benzopyran-7-yl]methyl (9E	12E)-octadeca-9	12-dienoate",OtherMutliCpd,Compound,CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC,WQODVCURNLADTH-IWCZYTNJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
10424294,6-Hydroxy-alpha-pyrufuran,OtherMutliCpd,Compound,COC1=C(C(=C(C2=C1C3=C(O2)C(=CC=C3)O)OC)OC)O,XUGBHEYCYSYJSM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,Dibenzofurans,Dibenzofurans,none,none,none,none,none,none
10424295,2-(4-hydroxyphenyl)naphthalic anhydride,OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(=O)OC(=O)C3=C(C=C2)C4=CC=C(C=C4)O,YFQUGKAERRJRCN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10424762,CHEBI:70658,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)C)O,TZEQDSMFACWASC-MDZDMXLPSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
10424832,Secoclausenamide,OtherMutliCpd,Compound,CN(CCC1=CC=CC=C1)C(=O)C(C(C2=CC=CC=C2)O)O,NCIQCBQQKSZYHT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
10425624,"9	10-Anthracenedione	 3-[(acetyloxy)methyl]-1	8-dihydroxy-",OtherMutliCpd,Compound,CC(=O)OCC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O,FUECAILUKAJTBR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
10428959,N-Caffeoyltryptophan,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC(=C(C=C3)O)O,XITPERBRJNUFSB-SOFGYWHQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
10429233,dihydrocurcumin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,MUYJSOCNDLUHPJ-XVNBXDOJSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
10432264,Bikoeniquinone A,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1C3=C(C(=O)C4=C(C3=O)NC5=CC=CC=C54)C)C6=CC=CC=C6N2)OC,WNIJCVSAQYOBMV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10432278,Murrastifoline F,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C3=CC=CC=C3N2C4=C5C6=CC=CC=C6NC5=C(C=C4C)OC)OC,OBQIZMYFDVTSTF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
10434225,3-Epikatonic acid,OtherMutliCpd,Compound,C[C@]12CC[C@@](C[C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,JZFSMVXQUWRSIW-FWXFQHTDSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
10438502,Gigantetrocinone,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(C(CCC(C1CCC(O1)CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O,QVMZZZFJAWBQSP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Annonaceous acetogenins,none,none,none,none,none,none
10441857,2-methoxy-5-vinylphenol,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C=C)O,FXEIWOUGVRUQNK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
10442251,"1(2H)-Naphthalenone	 3	4-dihydro-4	8-dihydroxy-",OtherMutliCpd,Compound,C1CC(=O)C2=C(C1O)C=CC=C2O,ZXYYTDCENDYKBR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
10444297,"3'	4'-Dihydroxychalcone",OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)O)O,WYUBYHGDUPOTPG-SOFGYWHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
10449043,CUDRAXANTHONE,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)OC)C,INFMYEMPDJIILH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
10450773,Isoartocarpesin,OtherMutliCpd,Compound,CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=C(C=C(C=C3)O)O)O,BEALEKDGCXYWLB-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
10450920,dihydroxanthohumol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C(=O)CCC2=CC=C(C=C2)O)OC)O)C,SVTCZHIDEDUTBH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
10452846,UNII-8YB4C23QVN,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC)OC,XGOWVPRWNRKCSL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
10456312,Cycloartomunin,OtherMutliCpd,Compound,CC(=CC1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C5C=CC(OC5=CC(=C4C2=O)O)(C)C)C,WQSBCGFYYIWXHK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
10459878,Melitric acid A,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O)O)O)O,MZSGWZGPESCJAN-JKXXRSRDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
10459879,Sennidin B,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O,JPMRHWLJLNKRTJ-SZPZYZBQSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
10460648,No_auto_id,OtherMutliCpd,Compound,CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7)(C)C)(C)C)C)O)C)O,HVLXXQDJGPKVMK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthopyrans,none,Naphthopyrans,none,none,none,none,none,none
10462318,Guanosine diphosphate adenosine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)OP(=O)(O)O,LHSVDZHIRYSVJP-INFSMZHSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(3'->5')-dinucleotides and analogues,(3'->5')-dinucleotides,(3'->5')-dinucleotides,none,none,none,none,none,none
10462651,"1-O-beta-D-Glucopyranosyl-2	3-di-O-palmitoylglycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC,DFUALJIUMYYHRG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,Glycosyldiradylglycerols,Glycosyldiacylglycerols,none,none,none,none,none
10463441,Valproyl-CoA,OtherMutliCpd,Compound,CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,UCIOSJWVYJWBEO-XJJJFWNASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
10465398,9-hydroxyundec-10-enoic Acid,OtherMutliCpd,Compound,C=CC(CCCCCCCC(=O)O)O,CJUFNYIRKDOQMC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
10465540,Phytoalexin,OtherMutliCpd,Compound,COC(=O)C1=CN(C2=CC=CC=C21)OC,JAAYVMHPQAMBJS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxylic acids and derivatives,none,none,none,none,none,none
10466989,batatasin III,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O,VYQXIUVIYICVCM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10468408,Pummeline,OtherMutliCpd,Compound,CN1C2=CC(=CC(=C2C(=O)C3=C1C=C(C=C3)O)O)OC,ULFQWNWPHHCZAJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10469728,13-HOTE,OtherMutliCpd,Compound,CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)O)O,KLLGGGQNRTVBSU-JDTPQGGVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
10477119,"2-(4-Allyl-2	6-dimethoxyphenoxy)-1-(3	4	5-trimethoxyphenyl)-1-propanol",OtherMutliCpd,Compound,CC(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC,KKEKLEUWEJUCRA-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
10484617,4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C(=CN5)CCNC(=O)/C=C/C6=CC=C(C=C6)O)O)O,ZPNFTINOYMQICL-PWSZKDBUSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,N-acylserotonins,none,none,none,none,none
10484893,"Diferuloyl-4	4'-biserotonin",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C(=CN5)CCNC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)O,URHRFQQPWDNDQE-ACFHMISVSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,N-acylserotonins,none,none,none,none,none
10489834,Thalictroidine,OtherMutliCpd,Compound,CN1CCCCC1CC(=O)C2=CC=C(C=C2)O,DZUIOQIFAIDHJH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10494866,"3	6-Dibenzyl-5-methoxypyrazin-2-ol",OtherMutliCpd,Compound,COC1=C(NC(=O)C(=N1)CC2=CC=CC=C2)CC3=CC=CC=C3,HDGSSKSUEFFBRK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Methoxypyrazines,none,none,none,none,none,none
10498320,Lansiumarin C,OtherMutliCpd,Compound,CC(=C)C(CC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)O,DBHLROWQWPSCQG-RIYZIHGNSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
10499386,Lansiumarin B,OtherMutliCpd,Compound,C/C(=C\COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C/C=C/C(C)(C)OO,NNZMYFZCHMIZMN-OVXNXNIRSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
10500218,Dulxanthone F,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4OC)OC)OC)C,JWMHGOJQVCHOPS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10506059,Neoacrimarine J,OtherMutliCpd,Compound,CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=CC(=CC(=C6C5=O)O)OC)O)O)C,LCGFAZIBUURPDA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10507216,Neoacrimarine H,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=CC=C4)OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C,KYDGDSAPWLVOME-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10511153,7-methylbenzofuran-2-carbaldehyde,OtherMutliCpd,Compound,CC1=CC=CC2=C1OC(=C2)C=O,JXPVJVSXZDJGIZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
10515286,"1	3	5-Trihydroxy-10-methylacridone",OtherMutliCpd,Compound,CN1C2=CC(=CC(=C2C(=O)C3=C1C(=CC=C3)O)O)O,SGESJKUDNYVWMW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10515775,Sinalbin B,OtherMutliCpd,Compound,CON1C2=CC=CC=C2C3=C1SC(=NC3)SC,JCYHQSOLTRRNNC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10519101,Lansamide 4,OtherMutliCpd,Compound,CN1C(C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3)OC,HGOXSQCBJLZRJO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10530465,N-Cerotoyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,RBGZJJPNEDSXQH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10532237,Bis(5-hydroxynoracronycine),OtherMutliCpd,Compound,CC1(CC(C2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=CC=C4)O)C5=C(C6=C(C7=C5OC(C=C7)(C)C)N(C8=C(C6=O)C=CC=C8O)C)O)C,PIZIMOGOEZLCMG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
10540941,2-[Methyl(3-phenylpropanoyl)amino]benzoic acid,OtherMutliCpd,Compound,CN(C1=CC=CC=C1C(=O)O)C(=O)CCC2=CC=CC=C2,APLMLPAZZRMWPT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
10542374,SCHEMBL16431882,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=COC3=C(C2=O)C(=CC(=C3O)O)O)O)O,USQGZNXXBDCNQF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
10542808,Kanzonol U,OtherMutliCpd,Compound,CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C,SJIZTMNAKZAOTA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
10544731,"1-(3	5-dihydroxyphenyl)pentadecan-2-one",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CC1=CC(=CC(=C1)O)O,GOWOYXJBRFHPCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
10546844,UNII-MUH1I4KK6U,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)OC)O)O)C,SLQRKKBBWHNDFD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
10547113,Glycyrrhizaisoflavone A,OtherMutliCpd,Compound,CC1(C(CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)C,ZCVDLJXIVVGRBZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
10548300,"2'-Hydroxy-3	4'	5'	7	8-pentamethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3O)OC)OC)OC)OC,ILFIBHRYVRDHNZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
10549707,Dulxanthone H,OtherMutliCpd,Compound,CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC4=C(C3=O)C(=CC(=C4OC)OC)O)OC)C,ZDTZJKWWYCZWNK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10559720,5-(3-hydroxyphenyl)pentanoic Acid,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)CCCCC(=O)O,CMLIEOOXQFWANJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
10567452,"1	2	4-Nonadecanetriol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(CC(CO)O)O,BADVLZPPYIABDS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
10575445,Artonol E,OtherMutliCpd,Compound,CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=CC(=CC(=C5C2=O)O)OC,CNWSDOLXOOXOCZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
10584182,"2	3-dihydroxydec-4-ynoic Acid",OtherMutliCpd,Compound,CCCCCC#CC(C(C(=O)O)O)O,VSKXYKGCLVJSEW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
10584634,Oresbiusin A,OtherMutliCpd,Compound,COC(=O)C(CC1=CC(=C(C=C1)O)O)O,NMAOZVAEJYOPOF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
10587535,2-Hydroxy-4-methoxyacetophenone 5-sulfate,OtherMutliCpd,Compound,CC(=O)C1=CC(=C(C=C1O)OC)OS(=O)(=O)O,IFFSTUJRUZMSDG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10592359,"7-Hydroxy-3	4'	8-trimethoxyflavone",OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3)O)OC)OC,JMDFEVHVJUQIKK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
10595178,Glycyrrhizaisoflavone C,OtherMutliCpd,Compound,CC1(CCC2=C(C(=C(C=C2O1)O)C3=COC4=C(C3=O)C=CC(=C4)O)OC)C,IEJGJZLXEWWZHI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
10595770,AA dihydroxypropylamine,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO,QHELXIATGZYOIB-DOFZRALJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,N-acyl amines,none,none,none,none,none,none
10603854,SCHEMBL13901714,OtherMutliCpd,Compound,C1C(CC(C(C1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)CCC(=O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O,DNZQDZDGNZZGCU-BQYBEJQRSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Pentacarboxylic acids and derivatives,Pentacarboxylic acids and derivatives,none,none,none,none,none,none
10605443,Fumonisin FP1,OtherMutliCpd,Compound,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)[N+]1=CC=CC(=C1)O)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,PUBXIIADYBXHSN-UHFFFAOYSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Hexacarboxylic acids and derivatives,Hexacarboxylic acids and derivatives,none,none,none,none,none,none
10608036,7774-47-2,OtherMutliCpd,Compound,CCCCC1(CCC(=O)O1)CCCC,KZEKELDMLDBVFV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
10610429,2-(1-Hydroxy-5-methyl-4-hexenyl)benzofuran-5-ol,OtherMutliCpd,Compound,CC(=CCCC(C1=CC2=C(O1)C=CC(=C2)O)O)C,PQFYUXKMWDLCDV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
10610669,Helinorbisabone,OtherMutliCpd,Compound,CC1=CC(=C(C=C1O)C(C)C(/C=C/C(=O)C)O)O,QUWXRNSZOIJARN-SNAWJCMRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
10625101,N-Tricosanoyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,XJUYJAIYKWBPLY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10626660,Neoacrimarine K,OtherMutliCpd,Compound,CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C4=C(C=C(C5=C4N(C6=C(C5=O)C=CC(=C6OC)OC)C)O)OC)O,XRRKNHPPSZSNHE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10629162,Fumonisin FP2,OtherMutliCpd,Compound,CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)[N+]1=CC=CC(=C1)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,UJUDXXXTXOWVKA-UHFFFAOYSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Hexacarboxylic acids and derivatives,Hexacarboxylic acids and derivatives,none,none,none,none,none,none
10636929,Heliannone C,OtherMutliCpd,Compound,COC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O,BMGKZGNJRBKRFC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
10643393,UNII-4534Y8Z7KC,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCC/C=C/C(=O)C[C@H](COC(=O)C)O,YLWJMUPPJKELEC-RSWURYEXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
10643653,"(15E)-2	6	10	14	18-pentamethylicos-15-ene-2	13-diol",OtherMutliCpd,Compound,CCC(C)C/C=C/C(C)C(CCC(C)CCCC(C)CCCC(C)(C)O)O,LVOIAUYYMRCVLX-MHWRWJLKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,none,none,none,none,none,none
10655013,Verimol J,OtherMutliCpd,Compound,CC(CC1=C(C=C(C=C1)OC)O)O,JHAZVELQNMEUTR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
10657183,"2	4-Dihydroxyacetophenone 5-sulfate",OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1)O)OS(=O)(=O)O,COXWPCPYWFBNJH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10660412,Sinalbin A,OtherMutliCpd,Compound,CON1C2=CC=CC=C2C3=C1SC(=NC3)S(=O)C,IVCVQRJWYKCARE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10668972,Lepidiumterpenoid,OtherMutliCpd,Compound,CCCC(C)CCCC(C)C(=O)CC(C(C)C/C=C/C1=C(CCCC1(C)C)C)O,JSSNFOHEHRIBDT-LICLKQGHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
10670015,Dulxanthone C,OtherMutliCpd,Compound,CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3O)OC)CC=C(C)C)O)OC)C,ZAAAUPCCIDWPPI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10672572,Garciduol C,OtherMutliCpd,Compound,COC1=CC(=C(C(=C1C2=CC(=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)O)O)C(=O)C5=CC=CC=C5)O,HPYVBXILLKDBSO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
10672636,"14-({8	8-dimethyl-2-oxo-2H	8H-pyrano[2	3-f]chromen-5-yl}oxy)-13-hydroxy-12	12-dimethyl-3	11-dioxatricyclo[8.4.0.0;{2	7}]tetradeca-1	5	7	9-tetraen-4-one",OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)OC4C(C(OC5=C4C6=C(C=C5)C=CC(=O)O6)(C)C)O)C=CC(=O)O3)C,SVNBKSLEKBMPRA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Angular pyranocoumarins,none,none,none,none,none,none
10672941,Artonol D,OtherMutliCpd,Compound,CC(=C)C1CC2=C(C3=C1C(=O)C4=C(C3=O)C=CC(O4)(C)C)OC5=C6C=CC(OC6=CC(=C5C2=O)O)(C)C,BPBNMDXSLVPNFT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10676816,Fumonisin FP3,OtherMutliCpd,Compound,CCCCC(C)C(C(CC(C)CC(CCCCCCC(C(C)[N+]1=CC=CC(=C1)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,SJFPAYWMTYRRGT-UHFFFAOYSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Hexacarboxylic acids and derivatives,Hexacarboxylic acids and derivatives,none,none,none,none,none,none
10678230,2-isopropyl-5-methylfuran,OtherMutliCpd,Compound,CC1=CC=C(O1)C(C)C,JYOVNNBTWWYRGU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
10685418,Lansamide 3,OtherMutliCpd,Compound,CN1C(C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3)O,FTFQYXRXXIHIHC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10697534,Neoacrimarine I,OtherMutliCpd,Compound,CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=CC(=CC(=C6C5=O)O)OC)OC)O)C,MHUAXBOYNZWGTG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
10708957,17-Hydroxylinolenic acid,OtherMutliCpd,Compound,CC(/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O)O,PSQSSLVXOIJSMX-XAFOFORCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
10714326,12-hydroxymyricanone,OtherMutliCpd,Compound,COC1=C(C(=C2CCCCC(=O)C(CC3=CC(=C(C=C3)O)C1=C2)O)O)OC,MZTZAESUYFUQBV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Cyclic diarylheptanoids,Meta--meta-bridged biphenyls,none,none,none,none,none,none
10719597,Dulciol C,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C(=C1O)O)CCC(C)(C)O)C(=O)C3=C(C(=CC(=C3O2)O)C(C)(C)C=C)O)C,AIKCUENREJQMNO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10728239,Rotundine A,OtherMutliCpd,Compound,CC1=NC=CC2=C1CC(C2(C)C)CCC(=O)C,RNURUJBYBMGADV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
10733103,SCHEMBL16432690,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=COC3=CC(=C(C(=C3C2=O)O)O)O)O)O,BIDDAFIPYBBDES-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
10733280,Musanolone E,OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)O,CFIUGIYVJPSAET-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10733867,Dulciol E,OtherMutliCpd,Compound,CC1C(C2=CC(=C3C(=C2O1)C(=O)C4=C(O3)C(=CC=C4)O)O)(C)C,WJPITGSTUAHZBK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
10734307,Musanolone F,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2)O,GMSAUUARBZSDEJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10736715,artonol A,OtherMutliCpd,Compound,CC(=C)C1CC2=C(C(=O)C1)OC3=C4C=CC(OC4=CC(=C3C2=O)O)(C)C,XCESLDIMJGQRPW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10740797,artonol B,OtherMutliCpd,Compound,CC(=O)C1=C2C(=CC3=C1C(=O)OC3(C)C)C(=O)C4=C(C=C5C(=C4O2)C=CC(O5)(C)C)O,LWJBUOOKYYTUDX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10742787,Dulciol B,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C(=C1O)O)CC=C(C)C)OC3=C(C=C(C(=C3C2=O)O)C(C)(C)C=C)O)C,CLXFLUDZZDAVOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10759602,AKOS025290661,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)O)O)OC)C,OAUAVKGFNHNNGR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,none,none,none,none,none,none
10759703,Dulxanthone A,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)OC)C,RSXHTPBQFVJEBZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
10760703,Dihydrohydroxy-O-methylsterigmatocystin,OtherMutliCpd,Compound,COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)C5CC(OC5O4)O)OC,ATDWDHGTLHHXNU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
10771862,Guanosine tetraphosphate adenosine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O,SJXJAXXRDJWRCR-INFSMZHSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
10779696,6'-Hydroxyangolensin,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2O)O)O,UDALNYNLNYDPMV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Alpha-methyldeoxybenzoin flavonoids,none,Alpha-methyldeoxybenzoin flavonoids,none,none,none,none,none,none
10780542,Mumefural,OtherMutliCpd,Compound,C1=C(OC(=C1)C=O)COC(=O)CC(CC(=O)O)(C(=O)O)O,FYDIRKLRXHXXHY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
10787706,Dulxanthone B,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC3=C(C2=O)C=CC(=C3O)O)O)C,SGSSJGOWXOYJNC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
10792189,N-Pentacosanoyltryptamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,CMFSUURRQYFHDN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
10796774,2-hydroxy-3-methyl-pentanoic acid,OtherMutliCpd,Compound,CC[C@@H](C)[C@H](C(=O)O)O,RILPIWOPNGRASR-RFZPGFLSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
10797750,CHEMBL510208,OtherMutliCpd,Compound,CC1CCC2=C1C=C(C=C2C)C(=O)O,YGZDWJVKOQPZDX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,none,Indanes,none,none,none,none,none,none
10802120,"4'	7-Dihydroxy-3'-methoxyisoflavan",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2CC3=C(C=C(C=C3)O)OC2)O,BMADVHDZKAZTNF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,3'-O-methylated isoflavonoids,none,none,none,none,none,none
10804574,Musanolone C,OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)O,HQIRTAPJDZWJHS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10810040,Isolicopyranocoumarin,OtherMutliCpd,Compound,CC1(C(CC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)O)C,JHGBGRLHQJNGPN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
10821969,"5-Hydroxy-2	3-dimethyl-1	4-naphthoquinone",OtherMutliCpd,Compound,CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C,WBPHCLSNRLPSPK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
10824187,CHEMBL508072,OtherMutliCpd,Compound,CC(=CCCC(=O)C1=CC2=C(O1)C=CC(=C2)O)C,LQWRIKCEOOIFSI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
10830657,Musanolone D,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C3C(=O)C(C(C4=CC=CC(=C43)C=C2)O)O)O,IXESIDXHOPLUCB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10839101,Artonol C,OtherMutliCpd,Compound,CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=C6C=CC(OC6=CC(=C5C2=O)O)(C)C,JVLAUHJNDLMVDW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
10851748,Heliannone B,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C(=O)CC(O2)C3=CC=C(C=C3)O)OC,JICUYFPHCQPXNY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
10855600,2-Isobutyramidoacetic acid,OtherMutliCpd,Compound,CC(C)C(=O)NCC(=O)O,DCICDMMXFIELDF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
10857709,Haematopodin,OtherMutliCpd,Compound,C1CN2C(CC3=CNC4=C3C2=CC(=O)C4=O)OC1,GTVMGUBGOSWMOJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Pyrroloquinolines,Pyrrolo[4--3--2-de]quinolines,none,none,none,none,none,none
10860876,1-O-Octadecyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCOC[C@H](CO)O,OGBUMNBNEWYMNJ-NRFANRHFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoalkylglycerols,none,none,none,none,none,none
10870049,"3-Hydroxy-9-(4-hydroxyphenyl)-1H	3H-naphtho[1	8-cd]pyran-1-one",OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(OC(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O,UYEXTCFTIVELSS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10871462,17878-69-2,OtherMutliCpd,Compound,COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC,JKUJKKGMOZDDJV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Sterigmatocystins,none,Sterigmatocystins,none,none,none,none,none,none
10874207,Garcimangosone A,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C,SSITWAPGVBPANU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
10878223,CHEMBL248603,OtherMutliCpd,Compound,CC(C)C/C=C\1/C2=CC=CC=C2C(=O)O1,LLCYNDRFWDIIQS-WQLSENKSSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Isobenzofuranones,none,none,none,none,none,none
10879760,(Z)-Rhapontigenin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=C2)O)O)O,PHMHDRYYFAYWEG-IHWYPQMZSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
10881419,piperolactam C,OtherMutliCpd,Compound,COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC,GYYIMUXZCUHECT-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aristolactams,none,Aristolactams,none,none,none,none,none,none
10883523,cholecalciferol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,QYSXJUFSXHHAJI-QWSSABAFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
10887828,2-Methylthioacetaldehyde,OtherMutliCpd,Compound,CSCC=O,NCNSBFDGXBKAKB-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Dialkylthioethers,Dialkylthioethers,none,none,none,none,none,none
10891372,"1	3-Benzodioxol-5-ol	 6-(2-benzofuranyl)-7-methoxy-",OtherMutliCpd,Compound,COC1=C2C(=CC(=C1C3=CC4=CC=CC=C4O3)O)OCO2,ACHFSGOIKJNVJV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
10892036,"2-Hydroxy-4-(3	4-dihydroxyphenyl)-1H-phenalene-1-one",OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(=O)C(=CC3=C(C=C2)C4=CC(=C(C=C4)O)O)O,ZNAZPYKRTNDUEJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
10893678,"(2E	4E)-11-(2H-1	3-BENZODIOXOL-5-YL)-N-(2-METHYLPROPYL)UNDECA-2	4-DIENAMIDE",OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/C=C/CCCCCCC1=CC2=C(C=C1)OCO2,DMIKQRDDTCGOLE-VTKKNFPDSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
10894570,5-dehydroepisterol,OtherMutliCpd,Compound,C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,ZEPNVCGPJXYABB-LOIOQLKMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
10898580,Capsicoside E,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(=C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC,PRHKAXKZWQKOLN-FFYBEAOXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
10903565,DICTYOQUINAZOL B,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)N(CN(C2)C3=C(C=C(C=C3)OC)CO)C=O,ZPMNGXXERQAMJD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
10903619,UNII-U3L0HCE5OI,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(CCO5)O,OQLKWHFMUPJCJY-IAGOWNOFSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
10905112,Tetrahydropersin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)CC(COC(=O)C)O,ZLVJJMWEIHRVLD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
10908386,"N1	N5	N10-Tris-trans-p-coumaroylspermine",OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCCN(CCCCN(CCCN)C(=O)/C=C/C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=C(C=C3)O)O,ZCAPOTKWNMCAIB-YUXOBOFSSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
10909430,Bacitracin A,Drug,Compound,CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,CLKOFPXJLQSYAH-ABRJDSQDSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
10910114,"1H-Indole-3-carboxaldehyde	 2-mercapto-",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=C(N2)S)C=O,ITVZJCAUYSGPDZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
10916629,Garcimangosone C,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C4CC(C(OC4=CC(=C3O2)O)(C)C)O)O)C,VPNBQMUAQMFCCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
10932172,N-Heptanoylglycine,OtherMutliCpd,Compound,CCCCCCC(=O)NCC(=O)O,RNFCYFVPNIXAHP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
10932638,Verimol I,OtherMutliCpd,Compound,CC(=O)OC/C=C/C1=CC=C(C=C1)OC,XQNPFRPIWBMLRN-ONEGZZNKSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
10935926,4-Hydroxyenterolactone,OtherMutliCpd,Compound,C1[C@@H]([C@H](C(=O)O1)CC2=CC(=C(C=C2)O)O)CC3=CC(=CC=C3)O,NFWHNQANQSCHGT-DZGCQCFKSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactone lignans,none,none,none,none,none
10944069,Maaliol,OtherMutliCpd,Compound,C[C@@]12CCC[C@]([C@H]1[C@H]3[C@H](C3(C)C)CC2)(C)O,CJRKEDMYNFITCQ-MUGBGTHKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
10945668,Ethenodeoxyadenosine,OtherMutliCpd,Compound,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)CO)O,XQQIMTUYVDUWKJ-DJLDLDEBSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purines and purine derivatives,none,none,none,none,none,none
10947890,Avenanthramide 1s,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NC2=CC=CC=C2C(=O)O,RGFLTMLKBQWTSH-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
10953466,5-oxohexanal,OtherMutliCpd,Compound,CC(=O)CCCC=O,UCAQDIQSNVAWBD-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
10955433,Turmeronol B,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(C)CC(=O)C=C(C)C)O,WYIJOOQDLOBLCP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
10957631,1-myristoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)O,DCBSHORRWZKAKO-INIZCTEOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
10959555,4'-O-methylxanthohumol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)OC)C,UVBDKJHYMQEAQV-XYOKQWHBSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
10964471,4-Deoxythreonic acid,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)O)O)O,LOUGYXZSURQALL-GBXIJSLDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
10965145,3602-54-8,OtherMutliCpd,Compound,CC(=O)C1=C(C=C(C=C1OC)O)O,IETZAWFZIAOWQX-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
10991489,maltose,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O,GUBGYTABKSRVRQ-DKBJLJRDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
10995547,Lactariamide B,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C(\C)/CCCCCCCCC)O)O,SFUUTBQJLKKRBN-AQENTWCGSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
10997169,"2	4-dimethyl-1H-indole",OtherMutliCpd,Compound,CC1=C2C=C(NC2=CC=C1)C,YBUMNVFXMLIKDZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
10997578,4-(4-methylphenyl)pentan-2-one,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)CC(=O)C,QPTHNVGZXBEQOJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
10999153,mukonidine,OtherMutliCpd,Compound,COC(=O)C1=C(C=C2C(=C1)C3=CC=CC=C3N2)O,SJVKEEPWQLIYIJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
11000257,"Phenol	 4-[2-(5-butyl-2-furanyl)ethyl]-2-methoxy-",OtherMutliCpd,Compound,CCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC,VFYKGOGEJRZWKU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Heterocyclic fatty acids,Furanoid fatty acids,none,none,none,none,none
11008054,4-phenyl-2-butenal,OtherMutliCpd,Compound,C1=CC=C(C=C1)C/C=C/C=O,WLNLUFZWBZXINT-SNAWJCMRSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
11010948,4-Methoxybrassinin,OtherMutliCpd,Compound,COC1=CC=CC2=C1C(=CN2)CNC(=S)SC,JVKOHVNWMQYCIN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
11012859,RETROFRACTAMIDE A,OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2,BPSWISYORIWKCT-FCGWLDPVSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
11018843,"Pyrrolo[1	2-a]pyrazine",OtherMutliCpd,Compound,C1=CN2C=CN=CC2=C1,QSLLFYVBWXWUQT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
11022960,"4	4'-Dihydroxy-2'	6'-dimethoxychalcone",OtherMutliCpd,Compound,COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)OC)O,SJULMVKFURWCFM-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Cinnamylphenols,Cinnamylphenols,none,none,none,none,none,none
11024779,Avenanthramide 2s,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O,IYRNSMDETLBKHB-ZZXKWVIFSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
11025495,Cholest-5-en-3-ol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C,HVYWMOMLDIMFJA-FNOPAARDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
11033651,"3-Hydroxy-4-(4-hydroxyphenyl)-1H	3H-naphtho[1	8-cd]pyran-1-one",OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C(=O)OC(C3=C(C=C2)C4=CC=C(C=C4)O)O,LIFGUYJSGKEZDL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
11044132,Graveolinine,OtherMutliCpd,Compound,COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4,QGCORDIPOBZNKC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,none,Quinolines and derivatives,none,none,none,none,none,none
11051218,[(12-PHENOXYDODECYL)OXY]BENZENE,OtherMutliCpd,Compound,C1=CC=C(C=C1)OCCCCCCCCCCCCOC2=CC=CC=C2,MGDFXJZWAHCAMS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
11052523,"Phenol	 2	5-dimethoxy-4-(2-propenyl)-",OtherMutliCpd,Compound,COC1=CC(=C(C=C1CC=C)OC)O,WPWFNFQROATLTG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
11052947,2-methoxy-3-methyl-9H-carbazole,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C3=CC=CC=C3N2)OC,XYYYPIAQQFQTAN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
11055399,Isoandrosterone,OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,QGXBDMJGAMFCBF-QRIARFFBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
11056824,"2-Furanundecanoic acid	 3-methyl-5-pentyl-",OtherMutliCpd,Compound,CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)O)C,QDTBMEGPXZUECM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
11062673,"Pentanedioic acid	 2-methyl-4-oxo-	 (R)-",OtherMutliCpd,Compound,CC(CC(=O)C(=O)O)C(=O)O,AVSMSTWODLACGT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
11074014,69804-59-7,OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC(C(=O)N2)O,HDRDOKTYPONKPM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxazines,Benzoxazinones,Benzoxazinones,none,none,none,none,none,none
11079623,5-Hydroxyauranetin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC)OC,KBYYZSYVUWCARH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
11094547,(Z)-Hex-4-enal,OtherMutliCpd,Compound,C/C=C\CCC=O,DPCMFIRORYQTCL-IHWYPQMZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
11095273,"1-(4-hydroxyphenyl)propane-1	2	3-triol",OtherMutliCpd,Compound,C1=CC(=CC=C1C(C(CO)O)O)O,DGMSJCVOBYTYTE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
11096158,N-Acetyl-beta-D-mannosamine,OtherMutliCpd,Compound,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,OVRNDRQMDRJTHS-OZRXBMAMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
11099375,licoagrochalcone A,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)C,TVUGLERLRIQATC-BJMVGYQFSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
11099949,Dictyoquinazol C,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)N2CN(C3=C(C2=O)C=C(C=C3)OC)C=O)CO,RFAIUXGESYTSKG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazanaphthalenes,Benzodiazines,Quinazolines,none,none,none,none,none,none
11105550,22972-51-6,OtherMutliCpd,Compound,CC(=C)[C@@H]1CC[C@](C=C1)(C)O,MKPMHJQMNACGDI-VHSXEESVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
11106144,7-Methoxy-6-methylcoumarin,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C=CC(=O)O2)OC,XROAZTOPXRDRAO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
11106233,3-hydroxy-5-phenylvaleric acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(CC(=O)O)O,IMMRMPAXYUIDLR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
11108126,(S)-Rutaretin,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O,FVFQELHSZVFPDZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
11110295,Pipertipine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)CCCCC/C=C/C2=CC3=C(C=C2)OCO3,VIQYOKDVSJLKNG-WEVVVXLNSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
11117364,"11	12-Dihydrolactaroviolin",OtherMutliCpd,Compound,CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C=O,VAMFCHMEVQNLHP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
11127419,Vinyl caffeate,OtherMutliCpd,Compound,C=COC(=O)/C=C/C1=CC(=C(C=C1)O)O,XVCVDNKCUNGTRP-GQCTYLIASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
11137200,"(2R	3S)-3-hydroxypyrrolidine-2-carboxylic acid",OtherMutliCpd,Compound,C1CN[C@H]([C@H]1O)C(=O)O,BJBUEDPLEOHJGE-IUYQGCFVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
11140882,(4E)-6-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)DEC-4-EN-3-ONE,OtherMutliCpd,Compound,CCCCC(/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC)O,SEWFXECKZBLANJ-MDZDMXLPSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Shogaols,none,none,none,none,none,none
11140953,Ocimin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/CC/C=C/C2=CC=C(C=C2)OC,FWOYMKXDIXNXIC-KQQUZDAGSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
11141599,Piperolein A,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)CCCC/C=C/C2=CC3=C(C=C2)OCO3,MIWPBXQTBYPJEF-XBXARRHUSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
11141754,18-hydroxy-arachidonic acid,OtherMutliCpd,Compound,CC[C@H](CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O,PPCHNRUZQWLEMF-LFFPGIGVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,none,none,none,none,none,none
11143989,Garcimangosone B,OtherMutliCpd,Compound,CC1(CCC2=C3C(=CC(=C2O1)OC)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C3=O)O)C,KPEKAHVOTOEHJF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
11151159,2-Methoxyhomopterocarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=CC(=C(C=C4C3O2)OC)OC,XCRBPIBUMBLGCZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
11160579,"1H-Indole	 6-methoxy-3-(2-thiazolyl)-",OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=CN2)C3=NC=CS3,FGXYYCWDPYDAOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
11167602,regorafenib,Drug,Compound,CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F,FNHKPVJBJVTLMP-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Diarylethers,none,none,none,none,none,none
11169452,Cyanidin 3-O-sophoroside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,SXYMMDGPXYVCER-WGNLCONDSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
11184361,hostmaniane,OtherMutliCpd,Compound,CC(C)(C(CC1=C(C=CC(=C1)C(=O)OC)O)O)O,ABFHVQPVDSMGNR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
11184822,Koeniginequinone B,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3N2)OC)OC,NIRRSVHUEHTZSM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
11193907,SCHEMBL1157665,OtherMutliCpd,Compound,C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N,FUTHBNRZCFKVQZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
11198769,N-benzylpalmitamide,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1,MLGPKWUKOQAAGI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,N-acyl amines,none,none,none,none,none,none
11199650,Tricetinidin,OtherMutliCpd,Compound,C1=CC(=[O+]C2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O,CMPNIWQMRYYTMK-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
11199982,previtamin D3,OtherMutliCpd,Compound,CC1=C(C[C@H](CC1)O)/C=C\C2=CCC[C@]3(C2CC[C@@H]3[C@H](C)CCCC(C)C)C,YUGCAAVRZWBXEQ-QEYGBBHESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
11210019,UNII-50H0N03SQU,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=NC=C(C=C2)C)OC,GDMDCNCFVKXNAN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
11217234,(R)-3-hydroxy-2-methylpropanoic acid,OtherMutliCpd,Compound,C[C@H](CO)C(=O)O,DBXBTMSZEOQQDU-GSVOUGTGSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
11221120,UNII-5PO1WPH92W,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=CC=CC=N2)OC,DWXUCYSOIKPLJM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
11228779,SCHEMBL36941,OtherMutliCpd,Compound,CCOC(=O)C(=C)O,PSYUBHDPOIZRST-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,Alpha--beta-unsaturated carboxylic esters,Enoate esters,none,none,none,none
11232900,Cappariloside A,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=CN2)CC#N,ZVFUTZQNUQUJLW-YMILTQATSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
11240503,2-MERCAPTO-2-METHYL-1-PENTANOL,OtherMutliCpd,Compound,CCCC(C)(CO)S,KMWFJTAZFAREIH-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
11242495,Lansamide I,OtherMutliCpd,Compound,CN(/C=C/C1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2,VJGRWRRIAJQNFU-SQIWNDBBSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,none,Cinnamic acids and derivatives,none,none,none,none,none,none
11250133,Procyanidin B1,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,XFZJEEAOWLFHDH-UKWJTHFESA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
11253924,"(2Z)-3	7-DIMETHYLOCTA-2	6-DIEN-1-YL BENZOATE",OtherMutliCpd,Compound,CC(=CCC/C(=C\COC(=O)C1=CC=CC=C1)/C)C,YDVXYTIIPGKIJP-QINSGFPZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
11253965,Kanzonol Q,OtherMutliCpd,Compound,CC1(CCC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C,HJUDWPJIBKIYQS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
11256019,4CN-2478,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O,SVPNMFZMHPLGRR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
11263766,"1H-Indole-3-acetonitrile	 4-hydroxy-",OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=CN2)CC#N,RWBSUCOEZMIDSA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
11264589,Isobornyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C,KRKIAJBQOUBNSE-COPLHBTASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
11264975,Koeniginequinone A,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(C1=O)C3=C(N2)C=C(C=C3)OC,FBXPHUZRLGTRFW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
11267348,Atrovirdin,OtherMutliCpd,Compound,CC1(C=CC2=C(C3=C(C(=C2O1)O)OC4=C(C3=O)C=C(C=C4)O)O)C,LPOCFPIHJNBUIN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
11275932,1-METHYLCAMALEXIN,OtherMutliCpd,Compound,CN1C=C(C2=CC=CC=C21)C3=NC=CS3,UZRNJZSSOYHALG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,N-alkylindoles,N-alkylindoles,none,none,none,none,none,none
11278310,Aurantrichoide B,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C3C(=CC4=CC(=C(C=C4O3)O)O)OC2=O)O,QIZCPKIKTOBRLA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Furanocoumarins,none,none,none,none,none,none
11287272,Bancroftinone,OtherMutliCpd,Compound,CC1=C(C=C(C(=C1OC)C(=O)C)O)OC,DUTVTRPNMVUOIS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
11289552,N-Acetoxymethylflindersine,OtherMutliCpd,Compound,CC(=O)OCN1C2=CC=CC=C2C3=C(C1=O)C=CC(O3)(C)C,JXPDGNCKRXEJET-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Pyranoquinolines,none,none,none,none,none,none
11289628,"3'	5	5'-Trihydroxy-7-methoxyflavanone",OtherMutliCpd,Compound,COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=CC(=C3)O)O)O,YEYLMQKEGSQNGZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
11294177,Chrysoeriol 7-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,GAMYVSCDDLXAQW-MIUGBVLSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
11298145,homomethionine,OtherMutliCpd,Compound,CSCCCC(C(=O)O)N,SFSJZXMDTNDWIX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
11301534,2-Methoxyestradiol-3-methylether,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)OC,AVCFXYYRWRZONV-BKRJIHRRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrane steroids,none,none,none,none,none,none
11304480,No_auto_id,OtherMutliCpd,Compound,C1=C(C(=C(C=[N+]1CCCC[C@@H](C(=O)O)N)[O-])C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N,ZAHDXEIQWWLQQL-IHRRRGAJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,L-alpha-amino acids,none,none,none
11316354,Daidzein 7-glucuronide,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,MMIBOZXVZLENRZ-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
11357032,Glandulone A,OtherMutliCpd,Compound,CC1=CC(=O)C(=CC1=O)C(C)CC/C=C(\C)/C=O,RBVBEULSUHQTPE-BJMVGYQFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
11357517,LANSIUMAMIDE B,OtherMutliCpd,Compound,CN(/C=C\C1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2,VJGRWRRIAJQNFU-NQDQBVNISA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,none,Cinnamic acids and derivatives,none,none,none,none,none,none
11367177,"2	3	4	5-tetrahydro-1-benzoxepin-3-one",OtherMutliCpd,Compound,C1CC2=CC=CC=C2OCC1=O,KKXKJOBVUSXAFR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxepines,none,Benzoxepines,none,none,none,none,none,none
11378967,Liqcoumarin,OtherMutliCpd,Compound,CC1=CC(=O)OC2=C1C(=C(C=C2)C(=O)C)O,UMNMVZFOKSPTJN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,Hydroxycoumarins,none,none,none,none,none,none
11380859,Wasalexin B,OtherMutliCpd,Compound,CON1C2=CC=CC=C2/C(=C/N=C(SC)SC)/C1=O,JJQPWCPYNJNWID-NTMALXAHSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
11414008,Lansiumamide A,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C/C(=O)N/C=C\C2=CC=CC=C2,DAZFHZLCFLDNPG-WCYNZMGESA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid amides,Cinnamic acid amides,none,none,none,none,none,none
11420256,Symplocosidin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)O)O,NJHJXXLBWQXMRO-CZUORRHYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
11425230,Heliannuol D,OtherMutliCpd,Compound,CC1CCC(OC2=CC(=C(C=C12)O)C)C(C)(C)O,BIIJJHXLFCDTIZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxepines,none,Benzoxepines,none,none,none,none,none,none
11425998,1-Methoxyspirobrassinin,OtherMutliCpd,Compound,CON1C2=CC=CC=C2C3(C1=O)CN=C(S3)SC,HXTLALYTXJCGLD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
11433862,C14 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O,KYICBZWZQPCUMO-PSALXKTOSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
11434978,3-(5-Methylfuran-2-yl)acrylaldehyde,OtherMutliCpd,Compound,CC1=CC=C(O1)/C=C/C=O,XYYLGSWUPMPWLD-NSCUHMNNSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
11435957,chrycorin,OtherMutliCpd,Compound,C1CC2=C(C(=O)CC2OC1)C3=CC=CS3,FCVWHDAKNZMSON-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
11435991,Isodillapiole,OtherMutliCpd,Compound,C/C=C/C1=CC2=C(C(=C1OC)OC)OCO2,OEDZKYGAFWDLGE-SNAWJCMRSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
11467081,Dihydromorelloflavone,OtherMutliCpd,Compound,C1C(OC2=C(C1=O)C(=CC(=C2C3C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O,IMIXFUXOSFSXPC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
11469098,"2(3H)-Furanone	 dihydro-3	4-dihydroxy-3-methyl-",OtherMutliCpd,Compound,CC1(C(COC1=O)O)O,OHTGZAWPVDWARE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
11469151,"3-Buten-2-ol	 4-phenyl-	 (3Z)-",OtherMutliCpd,Compound,CC(/C=C\C1=CC=CC=C1)O,ZIJWGEHOVHJHKB-FPLPWBNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamyl alcohols,none,Cinnamyl alcohols,none,none,none,none,none,none
11471752,Hydroxyanigorufone,OtherMutliCpd,Compound,C1=CC2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O,HTELDEYOMOTOBI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
11472669,MLS000876971,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C,OLARKEMZPWGFJU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
11479216,CHEMBL449884,OtherMutliCpd,Compound,COC1=CC=C(C=C1)O[C@H]2C=C[C@H](O[C@@H]2CO/N=C\3/[C@H]4CCN5C(=O)N(C(=O)N5[C@H]4[C@@H]([C@H]6[C@@H]3O6)O)C7=CC=CC=C7)C8=CC=CC=C8,JMHXWPSJVFXBGB-MHWGFBSGSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Triazoles,Phenyltriazoles,Phenyl-1--2--4-triazoles,none,none,none,none,none
11487842,delta-viniferin,OtherMutliCpd,Compound,C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O,LILPTCHQLRKZNG-OWOJBTEDSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
11491431,Dihydrowogonin,OtherMutliCpd,Compound,COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)O,FKAOWOSRYSMEBS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
11492496,Zederone,OtherMutliCpd,Compound,C/C/1=C\CCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C,CVIVANCKIBYAOP-WEVVVXLNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
11506771,N-acetylcitrulline,OtherMutliCpd,Compound,CC(=O)NC(CCCNC(=O)N)C(=O)O,WMQMIOYQXNRROC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
11517592,Mammea E/BA,OtherMutliCpd,Compound,CCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)OC(=O)C,YOWZJSSQEMLPTC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
11521869,39668-74-1,OtherMutliCpd,Compound,CCOC(=O)CNC(=O)C1CC(CCC1C(C)C)C,GWRCTWAPTXBPHW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
11527214,CHEBI:75666,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,ZYDDITZPGFXQSD-QKFRQTJPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
11528367,2-Deoxyribonic acid,OtherMutliCpd,Compound,C([C@@H]([C@@H](CO)O)O)C(=O)O,VBUWJOHKCBQXNU-IUYQGCFVSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
11536537,4-Hydroxymedicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)O,YRFDJOAWSXSLMG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
11538839,Dicaffeoylputrescine,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,WKIWXOKCKNMLIX-NXZHAISVSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
11545443,dihydrozeatin-9-N-glucoside,OtherMutliCpd,Compound,CC(CCNC1=NC=NC2=C1N=CN2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO,DRPMMLWYLAPTPK-SFVLZXPESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
11550267,N-lactoyl ethanolamine phosphate,OtherMutliCpd,Compound,CC(C(=O)NCCOP(=O)(O)O)O,CKXSSEHWXMVQRZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Phosphoethanolamines,none,none,none,none,none,none
11568718,Micromeric acid,OtherMutliCpd,Compound,CC1C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C(=O)O)C)C)(C)C)O)C,RSYAFUAKPCXDDM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
11572819,10-Methoxyyangonin,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC)OC,AKMMSYGGUVGJEE-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
11574561,2-octadecyl-1H-indol-3-ol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCC1=C(C2=CC=CC=C2N1)O,AYPYUZXAFNVUEC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
11612014,Stearyl citrate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O,REVZBRXEBPWDRA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
11621414,"4-[(6	7-dimethoxy-2-methyl-1	2	3	4-tetrahydroisoquinolin-1-yl)methyl]-2-({1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1	2	3	4-tetrahydroisoquinolin-7-yl}oxy)phenol",OtherMutliCpd,Compound,CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC,XCUCMLUTCAKSOZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
11623055,"5	6-Dihydroyangonin",OtherMutliCpd,Compound,COC1=CC(=O)OC(C1)/C=C/C2=CC=C(C=C2)OC,AYXCIWVJOBQVFH-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
11631979,SCHEMBL1617665,OtherMutliCpd,Compound,CC1CCC(C(C1)OCC2COC(O2)C3=CC(=C(C=C3)O)OC)C(C)C,ZOGKSXQLOOQXFG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
11642080,No_auto_id,OtherMutliCpd,Compound,CC1CCC(C(C1)OC(=O)OCC(C)O)C(C)C.CC1CCC(C(C1)OC(=O)OC(C)CO)C(C)C,JSEFYOBABBXEJJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
11644921,SCHEMBL14003840,OtherMutliCpd,Compound,C1=NC(=C(C(=N1)NC2C(C(C(O2)CO)O)O)[N+](=O)[O-])N,OHEMBWZZEKCBAS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
11646044,2-g-linolenoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO,BXAXVVVVPFELOK-QNEBEIHSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
11658413,ACMC-20mwu0,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(C(=O)N2)(CC#N)O,IXOBWMNTICTXOJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolines,Indolines,none,none,none,none,none,none
11660079,Junosidine,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(N3C)C(=CC=C4)OC)C,AUWXWUDANKEVNS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
11660820,2-eicosapentaenoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO,IXSYVBCFIGEECR-JLNKQSITSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
11671467,Fostamatinib,Drug,Compound,CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C,GKDRMWXFWHEQQT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Aniline and substituted anilines,Methoxyanilines,none,none,none,none,none,none
11674746,2-Monolinolenin,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,ZCCLDKGWJIREQF-PDBXOOCHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
11679812,"Octa-2	4	6-triyn-1-ol",OtherMutliCpd,Compound,CC#CC#CC#CCO,CDDRQTICNABTAT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
11702450,CHEMBL459604,OtherMutliCpd,Compound,CCC/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O,UFMJCOLGRWKUKO-UTOQUPLUSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
11706508,CHEMBL199585,OtherMutliCpd,Compound,C1CCC2=NC3=CC(=CC(=C3C(=C2C1)NCCCCCCC(=O)NCCC4=CNC5=CC=CC=C54)Cl)Cl,ULGJWNIHLSLQPZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,none,none,none,none,none,none
11710066,Parvisoflavone A,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O)C,FNSFANUGPIQSTR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
11722329,Myrigalone A,OtherMutliCpd,Compound,CC1C(=O)C(C(=O)C(C1=O)(C)C)C(=O)CCC2=CC=CC=C2,CTSXBYQFSBUGKB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
11722594,"8Z	11Z	14Z	17Z-eicosatetraenoic acid",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,HQPCSDADVLFHHO-LTKCOYKYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
11723200,Avenanthramide C,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O)O,IDUUXROOZBOOPH-QHHAFSJGSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
11738939,Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=C(O2)C3=C(C=C(C=C3)O)OC)C(=O)OC,FFAIKFRIUGUDRP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
11739408,UNII-IG3GV1WE4R,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=CC=CC=N2)OC,HETCYFFYGYGQSP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acid amides,none,none,none,none
11740284,3a-hydroxycholanic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)O)C)C,SMEROWZSTRWXGI-YPLGJCPNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
11742190,"3'-Geranyl-3	4	2'	4'-tetrahydroxychalcone",OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O)/C)C,WWJVSOYKRSDSDN-PIRRJUBYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
11742872,Cyclomulberrin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=C3C=CC(=C4)O)C=C(C)C)O)O)C,SYFDWXWLRGHYAJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
11743229,LMST01040263,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)C1CCC2[C@@]1(CCC3C2CC(=O)C4=CC(=O)CC[C@]34C)C)C(C)C,UVFOCYGYACXLAY-UQYXHCMHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
11743545,Erinacine E,OtherMutliCpd,Compound,CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]6[C@@]5([C@H]([C@@]([C@@H]4O)(CO6)O)O)O,YUCYEVHMFBEBSC-JQALDXPXSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
11750116,Mammea A/BB,OtherMutliCpd,Compound,CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O,ZZRRSYITGMMRPP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
11757087,LysoPC(20:5),OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,PDIGSOAOQOXRDU-WJPZTBRDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
11757751,Hericenone F,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC,ACYSSVIUKOTZQD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
11764751,"Bis-p-coumaroyl-4	4'-biserotonin",OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCC2=CNC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C(=CN5)CCNC(=O)/C=C/C6=CC=C(C=C6)O)O)O,OIUNULHHOJRJBI-IAGONARPSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Tryptamines and derivatives,Serotonins,N-acylserotonins,none,none,none,none,none
11765414,Salvianolic acid L,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O,CLZDRNKNWXDFQT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
11778432,"4	6-Heptadecadiyne-3	9	10-triol",OtherMutliCpd,Compound,CCCCCCCC(C(CC#CC#CC(CC)O)O)O,ZEWGSHDZCDJZJF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
11778601,Stercurensin,OtherMutliCpd,Compound,CC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)O,JUZVHLGKYJTCKP-CMDGGOBGSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
11778945,3-Hydroxyphloretin,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O)O,CNABJBYLQABXJR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
11782478,Hericenone A,OtherMutliCpd,Compound,CC(=CC(=O)C/C(=C/CC1=C(C=C2C(=C1O)COC2=O)OC)/C)C,IDSCVDJWBRGNKG-LFYBBSHMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
11787533,PC(15:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,SKPMPGXBXHJZPS-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
11788398,(+)-PERILLYL ALCOHOL,OtherMutliCpd,Compound,CC(=C)[C@@H]1CCC(=CC1)CO,NDTYTMIUWGWIMO-JTQLQIEISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
11792299,Lansiumarin A,OtherMutliCpd,Compound,CC(=C)C(=O)CC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C,XWVDCVZOOVTJKF-RIYZIHGNSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
11792612,Nisinic acid,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,YHGJECVSSKXFCJ-KUBAVDMBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
11794320,Lepidiumterpenyl ester,OtherMutliCpd,Compound,CC(CCCC(C)CCC(=O)O)CCCC(C)C(=O)OCCCCCC=C,PASMASQJCDKBJK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
11795135,Dulxanthone E,OtherMutliCpd,Compound,CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC4=C(C3=O)C=CC(=C4OC)OC)OC)C,DLIXREHRECIYQJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
11796045,Dulxanthone G,OtherMutliCpd,Compound,CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC4=C(C3=O)C(=CC(=C4OC)OC)OC)O)C,UGQGBKCQHMQDQW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
11796710,N-Stearoyltryptamin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21,AIIVCXFBTONHDU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
11807837,5a-Androst-3-en-17-one,OtherMutliCpd,Compound,C[C@]12CCC=C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,RJWNCDOWHNLVPF-HKQXQEGQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androstane steroids,none,none,none,none,none,none
11815846,"(2R	3S)-3-Hydroxy-2-methylbutyric acid",OtherMutliCpd,Compound,C[C@H]([C@H](C)O)C(=O)O,VEXDRERIMPLZLU-DMTCNVIQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
11818168,"4-Phenyl-1H	3H-naphtho[1	8-cd]pyran-1	3-dione",OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C(=O)OC3=O)C=C2,ISOSGRNBACDIEA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
11824075,"(2S)-3-[(Z)-octadec-1-enoxy]propane-1	2-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC/C=C\OC[C@H](CO)O,WXWPBUKRBCYIMR-OGLOHFSISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycerol vinyl ethers,Glycerol vinyl ethers,none,none,none,none,none,none
11824131,"2-hydroxy-6-[(8Z	11Z)-pentadeca-8	11-dien-1-yl]benzoic acid",OtherMutliCpd,Compound,CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O,KAOMOVYHGLSFHQ-UTOQUPLUSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Salicylic acid and derivatives,Salicylic acids,none,none,none,none
11829369,"(2Z	4E)-HEXA-2	4-DIENAL",OtherMutliCpd,Compound,C/C=C/C=C\C=O,BATOPAZDIZEVQF-IAROGAJJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
11830220,SCHEMBL11996898,OtherMutliCpd,Compound,CC(C)OC(=O)/C=C\C1=CC=CC=C1,RGACABDFLVLVCT-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
11830590,1-Methyl-1-phenylethyl isobutyrate,OtherMutliCpd,Compound,CC(C)C(=O)OC(C)(C)C1=CC=CC=C1,LQOHUFIIIKBPQC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzyloxycarbonyls,Benzyloxycarbonyls,none,none,none,none,none,none
11869658,3-Epioleanolic acid,OtherMutliCpd,Compound,C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O,MIJYXULNPSFWEK-KDQGZELNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
11876959,6-Ketoestriol,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CC(=O)C4=C3C=CC(=C4)O,PYFIDTBVOMQKDC-XCYHEEQWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
11902892,Pro-Hyp zwitterion,OtherMutliCpd,Compound,C1C[C@H]([NH2+]C1)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O,ONPXCLZMBSJLSP-CSMHCCOUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
11953837,HMDB01445,OtherMutliCpd,Compound,CC(CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C,OZGJPDIBINDRGZ-GKXPKBPWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
11953854,chenodeoxycholoyl coenzyme a,OtherMutliCpd,Compound,C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C,IIWDDMINEZBCTG-POZCYTSJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
11953876,3-Hydroxyisovaleryl-CoA,OtherMutliCpd,Compound,CC(C)(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,PEVZKILCBDEOBT-XBTRWLRFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,(S)-3-hydroxyacyl CoAs,none,none,none,none
11953879,S-Glutaryldihydrolipoamide,OtherMutliCpd,Compound,C(CCC(=O)N)CC(CCSC(=O)CCCC(=O)O)S,PWTIHZUSTBSVGF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Thia fatty acids,none,none,none,none,none,none
11954010,Demethylphylloquinone,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC1=CC(=O)C2=CC=CC=C2C1=O)/C,UDYIPZFWVJJQJF-NCELDCMTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
11954011,3-Hexaprenyl-4-hydroxybenzoic acid,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)/C)/C)/C)/C)C,LKMQQQABIGIHGL-LAAQXVIISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,Polyprenylphenols,none,none,none,none,none,none
11954043,"11	12	15-THETA",OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/C(C(C/C=C\C/C=C\CCCC(=O)O)O)O)O,PRMWQIVYOYCJQC-YZSNCDGGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
11954195,Taurohyocholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,XSOLDPYUICCHJX-QZEPYOAJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
11954197,"7alpha	25-Dihydroxycholesterol",OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,BQMSKLCEWBSPPY-IKVTXIKFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
11954205,glycochenodeoxycholic acid 7-sulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)C,GLYPHOJMMLQNJQ-GYPHWSFCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
11954881,Caulilexin C,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)CC#N,LIJIPBYXIXTNLE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
11954907,Brassicanal C,OtherMutliCpd,Compound,COS(=O)C1=C(C2=CC=CC=C2N1)C=O,OWWULYVDNVCJLP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
11956719,"1	2	3	4-Butanetetrol	 1	1'-(2	5-pyrazinediyl)bis-",OtherMutliCpd,Compound,C1=C(N=CC(=N1)C(C(C(CO)O)O)O)C(C(C(CO)O)O)O,NPWQIVOYGNUVEB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
11963036,4-Hydroxy-2-oxobutanoic acid,OtherMutliCpd,Compound,C(CO)C(=O)C(=O)O,PUWWONYMIXRVQF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
11964501,Artonin B,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)CC(C5=C4C(=CC(=C5O)O)O)C(=C)C)O)C=CC(O2)(C)C)C,IGNKZOMBJGAKHN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
11966095,No_auto_id,OtherMutliCpd,Compound,CCCCCCCCC[C@@H](CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CO)CCN)CCN)CCCN=C(N)N)CC2=CC=CC=C2)[C@@H](C(=O)O)O)[C@@H](CCl)O)O,ZQVJBRJGDVZANE-MXDMHAPNSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
11966132,gamma-Linolenoyl-CoA,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,XZQYPTBYQYZGRU-FHDVEODPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
11966197,3-oxomyristoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,IQNFBGHLIVBNOU-QSGBVPJFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
11968069,Carthamine,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)C2=C(/C(=C/C3=C(/C(=C(\C=C\C4=CC=C(C=C4)O)/O)/C(=O)[C@@](C3=O)([C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)/C(=O)[C@@](C2=O)([C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O,UZPQVEVQJJKELH-HDOBETQRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
11968490,No_auto_id,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)O)C,QUNSGRLNZDSQJC-GPAMICKKSA-N,none,none,none,none,none,none,none,none,none,none,none
11968499,No_auto_id,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6(C5([C@@H](C[C@@H]([C@@H]6O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)O[C@@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)C)OC1,WTBJYOOHMFWKMY-FUAAWXIXSA-N,none,none,none,none,none,none,none,none,none,none,none
11968524,No_auto_id,OtherMutliCpd,Compound,C1C([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(CO)O,QQRQQTAVILSCDC-NNYZNZHVSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
11968734,No_auto_id,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)C)C)C2[C@H]1C)C)C(=O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O,KIDKFTVXSGGWRY-NDGCKDKDSA-N,none,none,none,none,none,none,none,none,none,none,none
11968794,Nelumboside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O,RFPZGZUMXXMVEL-UBSYNHCDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-3-O-glucuronides,none,none,none,none
11968801,No_auto_id,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O)C,FNIRVWPHRMMRQI-AWISTCESSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
11968802,No_auto_id,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C,YPUHYSBFIMWSEC-HSHDLZCWSA-N,none,none,none,none,none,none,none,none,none,none,none
11968884,No_auto_id,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O,DFNXNCCYQRPZMD-QBPMGZHBSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
11968918,No_auto_id,OtherMutliCpd,Compound,C/C(=C/CCC(C)(C)O)/C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C,SLPPUMWTJMNBCW-JPLHBASJSA-N,none,none,none,none,none,none,none,none,none,none,none
11968949,No_auto_id,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4C3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O,JDGKHHCYVKBIIT-DACSRTGGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
11968966,60671-81-0,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,YUANNBKEZDNSIV-CZTZGLBASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
11969529,magnesium(2+) ion octanoate,OtherMutliCpd,Compound,CCCCCCCC(=O)[O-].[Mg+2],WPPXATPYYIEUQR-UHFFFAOYSA-M,none,none,none,none,none,none,none,none,none,none,none
11972297,No_auto_id,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O)O,HHRPSKAYQPDDGQ-KOJUQBNKSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
11972305,Cappariloside B,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C(=CN2)CC#N,YWQNATCXFBWYHU-KWOKUELKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
11972307,No_auto_id,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O)O)O,DTHNDBFHAFORNZ-AYQBYMDZSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
11972318,Citrusin B,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)O)OC)/C=C/CO,XMGKCJUCYBLMBY-ONCYFVLKSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
11972367,5-Hydroxyaloin A,OtherMutliCpd,Compound,C1=CC(=C2C(=C1O)[C@@H](C3=CC(=CC(=C3C2=O)O)CO)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,LJCDCYLYUCZUGL-UQBALUMJSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
11972403,No_auto_id,OtherMutliCpd,Compound,C/C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)OC[C@@H]2C[C@H]([C@H]([C@@H]([C@H]2O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=CC(=C(C=C5O4)O)O)O,NCWGUSGGDZUCES-BMPAEULOSA-N,none,none,none,none,none,none,none,none,none,none,none
11972447,OJZWDOKDQBCANR-ZPSAUEBXSA-,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2([C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C=C(C=C4O)C(=O)O,OJZWDOKDQBCANR-ZPSAUEBXSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
11972448,No_auto_id,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@]2(C5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C=C(C=C4O)C(=O)O,OJZWDOKDQBCANR-XMSJWMSDSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
11972449,GLHYGFIHRKNBBP-PUOOODEVSA-,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)C(=O)O,GLHYGFIHRKNBBP-PUOOODEVSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
11972450,No_auto_id,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2C5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)C(=O)O,GLHYGFIHRKNBBP-QXIZLWMTSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
11987778,(+-)-Ethyl 3-hydroxy-2-methylbutyrate,OtherMutliCpd,Compound,CCC(CC)(/C=C/CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O,DRYSPLCGYOPFPU-CQTNNHDRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
11988264,Estradiol-17alpha 3-D-glucuronoside,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,MUOHJTRCBBDUOW-FNUZHIFDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
11996616,isorosmanol,OtherMutliCpd,Compound,CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(=O)O3)O)O)O,UXVPWKDITRJELA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
12000371,No_auto_id,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9C([C@H](C([C@H](O9)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)C)C)C)OC1,LHFLSIPWAUOODT-BIIDHCLVSA-N,none,none,none,none,none,none,none,none,none,none,none
12002084,SCHEMBL12315079,OtherMutliCpd,Compound,CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O,MIYTVBARXCVVHZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
12002504,HMDB06692,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)O)O)CO)CO)O)O,IESOVNOGVZBLMG-MTEFBGAJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
12003287,L-galactopyranose,OtherMutliCpd,Compound,C([C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O)O,WQZGKKKJIJFFOK-DHVFOXMCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
12003326,Avenanthramide G,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=CC(=C2)O)C(=O)O)O,QSUPRDNLJSCNSD-FPYGCLRLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,Avenanthramides,none,none,none,none,none
12004528,Miquelianin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O,DUBCCGAQYVUYEU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-3-O-glucuronides,none,none,none,none
12004532,SCHEMBL62444,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O,OZBAVEKZGSOMOJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
12046149,Epicubenol,OtherMutliCpd,Compound,C[C@@H]1CC[C@H]([C@H]2[C@@]1(CCC(=C2)C)O)C(C)C,COGPRPSWSKLKTF-QPSCCSFWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
12069327,LICOAGROAURONE,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O)C,GKIZWUHTCYQZHL-ZDLGFXPLSA-N,Organic compounds,Phenylpropanoids and polyketides,Aurone flavonoids,none,Aurone flavonoids,none,none,none,none,none,none
12073743,(2E)-Piperamide-C5:1,OtherMutliCpd,Compound,C1CCN(C1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3,XZTCTKKANUDQCW-QHHAFSJGSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
12110098,BDE No 28 solution,OtherMutliCpd,Compound,C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)Br)Br,UPNBETHEXPIWQX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylethers,Bromodiphenyl ethers,none,none,none,none,none,none
12132870,Alfalone,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC,CQULNEWSZBPFNL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
12133279,4-Dihydroboldenone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]4[C@@]3(C=CC(=O)C4)C,OKJCFMUGMSVJBG-MISPCMORSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
12178130,1-Oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O,RZRNAYUHWVFMIP-QJRAZLAKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
12200728,2-isopropylfuran,OtherMutliCpd,Compound,CC(C)C1=CC=CO1,AFOPCURQYRRFRQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
12214328,"2	3-Dihydroxyxanthone",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3O2)O)O,PCVZOSVNSMRPQO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
12218867,"4-Hydroxy-2	3	9-trimethoxypterocarpan",OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C(=C(C=C4C3O2)OC)OC)O,APDOGYRSSCEXNB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
12218868,2-Methoxymedicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=CC(=C(C=C4C3O2)OC)O,YVBGQNQUTOVRER-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
12255414,3-Methyl-2-phenylbutanal,OtherMutliCpd,Compound,CC(C)C(C=O)C1=CC=CC=C1,UKEXEDXJYSMZGZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
12267346,"3	4	7-trimethylcoumarin",OtherMutliCpd,Compound,CC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C,KAFSSZHADPCOBG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
12281224,1-(3-methylfuran-2-yl)ethan-1-one,OtherMutliCpd,Compound,CC1=C(OC=C1)C(=O)C,RJBGVAIXGHZIDY-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
12285879,L-allopyranose,OtherMutliCpd,Compound,C([C@H]1[C@@H]([C@@H]([C@@H](C(O1)O)O)O)O)O,WQZGKKKJIJFFOK-HOWGCPQDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
12285901,"1	2	3	4-Butanetetrol	 1-[6-(2	3	4-trihydroxybutyl)pyrazinyl]-",OtherMutliCpd,Compound,C1=C(N=C(C=N1)C(C(C(CO)O)O)O)CC(C(CO)O)O,MBHUNOHYVYVNIP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
12287152,"3	4	5-trimethylbenzaldehyde",OtherMutliCpd,Compound,CC1=CC(=CC(=C1C)C)C=O,SYBPMJLJCUCJGM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoyl derivatives,Benzoyl derivatives,none,none,none,none,none,none
12289982,7380-44-1,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)O)OC)OC,HVUBHXRYARBAGR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
12300148,UNII-LP618AV2EA,OtherMutliCpd,Compound,CC1=CC[C@](CC1)([C@@H](C)CCC=C(C)C)O,WTVHAMTYZJGJLJ-GJZGRUSLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
12302181,"3beta-Tirucalla-7	24-dien-3-ol",OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C,DICCPNLDOZNSML-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12302249,Pelargonidin-3-glucoside (M9),OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O,ABVCUBUIXWJYSE-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
12302276,Eleutheroside B1,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O,IKUQEFGEUOOPGY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Coumarin glycosides,Coumarin glycosides,none,none,none,none,none,none
12302826,gamma-Chaconine,OtherMutliCpd,Compound,CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C,IDGKMGZVTKHZDA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
12302892,Chebulic acid,OtherMutliCpd,Compound,C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O,COZMWVAACFYLBI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
12303099,"5	6-trans-Vitamin D3",OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C,QYSXJUFSXHHAJI-YYJGPZIQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
12303931,LS-52271,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=CC(=O)OC6)C)C)O)O)O,QREPIJRHFLRVPB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
12304405,No_auto_id,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O,KEEWIHDTSNESJZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
12304433,Neotigogenin,OtherMutliCpd,Compound,C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,GMBQZIIUCVWOCD-PUHUBZITSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12304737,ST077101,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O,UHNXUSWGOJMEFO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
12305191,Selinone,OtherMutliCpd,Compound,CC(=CCOC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C,GYSDUVRPSWKYDJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
12305351,15042-85-0,OtherMutliCpd,Compound,CC1CS(=O)CC(N1)C(=O)O,JYMHODZXTIGVPA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
12305415,Kaempferitrin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O,PUPKKEQDLNREIM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
12305517,11-Deoxoglycyrrhetinic acid,OtherMutliCpd,Compound,C[C@]12CC[C@](C[C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,JZFSMVXQUWRSIW-BTJIZOSBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12305723,Longispinogenin,OtherMutliCpd,Compound,CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO)C,YHGVYECWZWIVJC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12305997,SCHEMBL2835206,OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#CC2=C(CC(CC2(C)C)O)C)\C)\C)/C)/C,DVICWXUADSCSLL-PJQROKOUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
12306192,5H-Cyclopentapyrazine,OtherMutliCpd,Compound,C1C=CC2=NC=CN=C21,RNVGIKWJGFOBOF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
12306765,cis-Androsterone,OtherMutliCpd,Compound,C[C@]12CCC(C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,QGXBDMJGAMFCBF-XYQQMQERSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
12308704,SCHEMBL13182845,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O,BDCDNTVZSILEOY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
12309172,Desglucocheirotoxol,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)O,UQEKVLJMBGSQGS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
12309425,"(9E	11Z	13E)-9	11	13-Octadecatrienoic acid",OtherMutliCpd,Compound,CCCC/C=C/C=C\C=C\CCCCCCCC(=O)O,CUXYLFPMQMFGPL-MRZTUZPCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
12309443,Trametenolic acid,OtherMutliCpd,Compound,CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C,NBSBUIQBEPROBM-GIICLEHTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12309935,Fumigaclavine A,OtherMutliCpd,Compound,CC1CN(C2CC3=CNC4=CC=CC(=C34)C2C1OC(=O)C)C,GJSSYQDXZLZOLR-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Clavines and derivatives,Clavines and derivatives,none,none,none,none,none,none
12309937,(-)-Fumigaclavine B,OtherMutliCpd,Compound,CC1CN(C2CC3=CNC4=CC=CC(=C34)C2C1O)C,JUXRVSRUBIFVKE-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Ergoline and derivatives,Clavines and derivatives,Clavines and derivatives,none,none,none,none,none,none
12310181,MolPort-038-386-084,OtherMutliCpd,Compound,CC12C(CC(C3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O)O,none,none,none,none,none,none,none,none,none,none,none,none
12310184,No_auto_id,OtherMutliCpd,Compound,CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O,AUKMHZZVLPQAOX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 20-carboxylic acids,none,none,none,none
12310190,20134-29-6,OtherMutliCpd,Compound,C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)C=O)O)C(=O)O,HRIAGYDCQBIJJM-ARCJWRNYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 6-carboxylic acids,none,none,none,none
12310288,Glycoursodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,GHCZAUBVMUEKKP-XROMFQGDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
12310311,ZINC1532555,OtherMutliCpd,Compound,C1=NC2=C(N1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N,RQFCJASXJCIDSX-GIMIYPNGSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
12310433,Hesperaline,OtherMutliCpd,Compound,C[N+](C)(C)CCOC(=O)C1=CC(=C(C=C1)OC)OC,IXSHJXHXZYUCPK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
12310980,Isoeugenitin,OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C,DFAAYQHTFVTATL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
12311234,Limocitrol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)O)O,LCKHNFJHVWUHTR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
12312669,No_auto_id,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)O)O)C)O)C)C)OC1,FYRLHXNMINIDCB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12312726,"4	4	6a	6b	8a	11	11	14b-octamethyl-1	2	3	4	4a	5	6	6a	6b	7	8	8a	9	10	11	12	12a	14	14a	14b-icosahydropicene-3	8-diol",OtherMutliCpd,Compound,CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C)C,VLRYIIPJIVGFIV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12312851,Cyclosadol,OtherMutliCpd,Compound,CC(C)/C(=C/CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)/C,BTLJUKNIXFTSMI-ZVBGSRNCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
12313272,(1'R)-Nepetalic acid,OtherMutliCpd,Compound,CC1CCC(C1C(=O)O)C(C)C=O,RGTMAXSVLBZNEL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Monocyclic monoterpenoids,none,none,none,none,none,none
12313332,MLS000876823,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O,RTATXGUCZHCSNG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
12313369,"3-Hydroxy-2-methyl-[S-(R	R)]-butanoic acid",OtherMutliCpd,Compound,C[C@H]([C@@H](C)O)C(=O)O,VEXDRERIMPLZLU-QWWZWVQMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
12313370,"3-hydroxy-2-methyl-[R-(R	S)]-butanoic acid",OtherMutliCpd,Compound,C[C@@H]([C@@H](C)O)C(=O)O,VEXDRERIMPLZLU-IUYQGCFVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
12313716,Rac-Oleuropeic Acid,OtherMutliCpd,Compound,CC(C)(C1CCC(=CC1)C(=O)O)O,BFYWJELXORKNFO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
12313778,Oryzanol A,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C,FODTZLFLDFKIQH-GHRIWEEISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
12313783,Oryzanol C,OtherMutliCpd,Compound,CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C,JBSUVXVGZSMGDJ-GHRIWEEISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
12313913,No_auto_id,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O,IPVSUYLZIAYTOK-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
12314153,3-Phenyl-L-serine,OtherMutliCpd,Compound,C1=CC=C(C=C1)C([C@@H](C(=O)O)N)O,VHVGNTVUSQUXPS-JAMMHHFISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
12314177,SCHEMBL2455238,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)O,CABAPJGWBVFEQH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
12314336,UNII-20R217016A,OtherMutliCpd,Compound,CC1=C[C@H]([C@@H](CC1)C(C)C)O,HPOHAUWWDDPHRS-VHSXEESVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
12314556,Ambotz14144-06-0,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1,WXMARHKAXWRNDM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
12314746,4CN-0393,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(C(C2=O)(C)C)O)C)CCOC3C(C(C(C(O3)CO)O)O)O,TUGWHBZURNWRDG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
12314812,20013-75-6,OtherMutliCpd,Compound,CC1=CC2=C(CC1)C(=CC3=C2C(=CO3)C)C,JSWOSPDHAFLJHZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
12315236,"1H	3H-Furo[3	4-c]furan-1-ol	 4-(1	3-benzodioxol-5-yl)tetrahydro-",OtherMutliCpd,Compound,C1C2C(COC2O)C(O1)C3=CC4=C(C=C3)OCO4,DRUQKRWRXOUEGS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
12315505,(R)-Shinanolone,OtherMutliCpd,Compound,CC1=CC(=C2C(=O)CCC(C2=C1)O)O,JOCZVRFSKAUXRP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
12315523,N-acetyl-7-O-acetylneuraminic acid,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)OC(=O)C)(C(=O)O)O)O,DUOKWMWKFGDUDQ-GRRZBWEESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
12315549,Ucriol,OtherMutliCpd,Compound,CC1(CCCC2(C1CC(C34C2CCC(C3)C5(C4O5)C)O)C)CO,BDWKHKXSYDEDRO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
12358625,"Inosine 2'	3'-cyclic phosphate",OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O,SBJVDTBACUMFFD-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Cyclic purine nucleotides,2'--3'-cyclic purine nucleotides,none,none,none,none,none,none
12367058,Sedanonic acid,OtherMutliCpd,Compound,CCCCC(=O)C1CCCC=C1C(=O)O,PHVSWPDOXIQPTN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Gamma-keto acids and derivatives,Gamma-keto acids and derivatives,none,none,none,none,none,none
12376292,UNII-M41Y60O5BZ,OtherMutliCpd,Compound,CC/C=C(/C)\C=O,IDEYZABHVQLHAF-XQRVVYSFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated aldehydes,Enals,none,none,none,none
12382419,"1	3-Dimethylpyrrolo[1	2-a]pyrazine",OtherMutliCpd,Compound,CC1=CN2C=CC=C2C(=N1)C,OZKVDBMWPNGAHE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
12382420,"1	4-Dimethylpyrrolo[1	2-a]pyrazine",OtherMutliCpd,Compound,CC1=CN=C(C2=CC=CN12)C,FRKUPFZWTZZLGN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
12382428,"3	4-Dimethylpyrrolo[1	2-a]pyrazine",OtherMutliCpd,Compound,CC1=C(N2C=CC=C2C=N1)C,RWOJBYQXLMZJMR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrazines,none,Pyrrolopyrazines,none,none,none,none,none,none
12398450,"4-Chloro-3	5-dimethoxybenzaldehyde",OtherMutliCpd,Compound,COC1=CC(=CC(=C1Cl)OC)C=O,GTEZQOCVTNORJP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
12400812,"3-Decanol	 (R)-",OtherMutliCpd,Compound,CCCCCCC[C@@H](CC)O,ICEQLCZWZXUUIJ-SNVBAGLBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
12414277,(R)-Bitalin A,OtherMutliCpd,Compound,CC(=O)C1=CC2=C(C=C1)OC(C2)C(=C)CO,JRWKMIYLVXKKAN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Acetophenones,Acetophenones,none,none,none,none,none,none
12443122,SUDACHITIN,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)O,XRHHDQSPFPQKMS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
12443252,Tauroursodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C,BHTRKEVKTKCXOH-VSHSPWMTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
12444612,Reichstein's substance V,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O,AODPIQQILQLWGS-VSJLKEFSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
12444617,Kendall's compound G,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,SYGWGHVTLUBCEM-SDYDLROXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
12444939,Wharangin,OtherMutliCpd,Compound,COC1=C(OC2=C3C(=CC(=C2C1=O)O)OCO3)C4=CC(=C(C=C4)O)O,NOZQEJFGIXKUPM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3-O-methylated flavonoids,none,none,none,none,none,none
12444947,wistin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O,YLYJXNTZVUEFJZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
12444984,"1	4-Anhydro-L-xylitol",OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@@H](O1)CO)O)O,KZVAAIRBJJYZOW-WISUUJSJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
12531626,"6-methoxy-2	2-dimethyl-3	4-dihydro-2H-1-benzopyran-4-one",OtherMutliCpd,Compound,CC1(CC(=O)C2=C(O1)C=CC(=C2)OC)C,ZCZUDOBLRMXOGV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
12577074,(E)-hex-4-en-2-ol,OtherMutliCpd,Compound,C/C=C/CC(C)O,CKWLIPZHAXWCLG-ONEGZZNKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
12582097,34328-51-3,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=C(OC2=O)C=O,ALHVSADYXQWYJH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isocoumarins and derivatives,none,Isocoumarins and derivatives,none,none,none,none,none,none
12593475,"1	24-Tetracosanediol",OtherMutliCpd,Compound,C(CCCCCCCCCCCCO)CCCCCCCCCCCO,SPUHPCYLASTIGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
12642439,"Cyclohexanol	 2-methylene-5-(1-methylethenyl)-	 (1S-cis)-",OtherMutliCpd,Compound,CC(=C)[C@H]1CCC(=C)[C@H](C1)O,PNVTXOFNJFHXOK-UWVGGRQHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
12646210,Ciliapterin,OtherMutliCpd,Compound,C[C@@H]([C@H](C1=CN=C2C(=N1)C(=O)N=C(N2)N)O)O,LHQIJBMDNUYRAM-BBIVZNJYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Biopterins and derivatives,none,none,none,none,none,none
12659797,4-(methylsulfanyl)butan-2-ol,OtherMutliCpd,Compound,CC(CCSC)O,BQFFCKMCUHRYIN-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
12662077,4-Hydroxyisobenzofuran-1(3H)-one,OtherMutliCpd,Compound,C1C2=C(C=CC=C2O)C(=O)O1,ZSCIMKFWMUXNBS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isocoumarans,Isobenzofuranones,Phthalides,none,none,none,none,none,none
12678469,3-Nonanon-1-yl acetate,OtherMutliCpd,Compound,CCCCCCC(=O)CCOC(=O)C,SIDKXKCKKVBGMY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohol esters,Fatty alcohol esters,none,none,none,none,none,none
12681285,N-Acetylvanilalanine,OtherMutliCpd,Compound,CC(=O)NC(CC1=CC(=C(C=C1)O)OC)C(=O)O,UKDKTHYZLXZOSS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
12682184,Dihydropiperlonguminine,OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/CCC1=CC2=C(C=C1)OCO2,CSGDXLXTJVRNEA-GQCTYLIASA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
12702257,2-(4-Hydroxycyclohexyl)acetic acid,OtherMutliCpd,Compound,C1CC(CCC1CC(=O)O)O,ALTAAUJNHYWOGS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,Cyclohexanols,none,none,none,none,none
12742405,Orientalone,OtherMutliCpd,Compound,CC1=C(C(=C2C(=C1)C(=O)C=C(C2=O)OC)O)C(=O)C,RRQIDDGRIQVTGM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
12760132,Cycloartanol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C,YABASAWVVRQMEU-YBXTVTTCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
12762300,2-Decylfuran,OtherMutliCpd,Compound,CCCCCCCCCCC1=CC=CO1,PIBKIYYQPWSUDP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
12772627,No_auto_id,OtherMutliCpd,Compound,CC12CC3CC4C1C2C(C3)C4,KKYLPFCIVVSUNX-UHFFFAOYSA-N,Organic compounds,Hydrocarbons,Polycyclic hydrocarbons,none,Polycyclic hydrocarbons,none,none,none,none,none,none
12775850,Tribuloside,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O,DVGGLGXQSFURLP-XCVCLJGOSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid 3-O-p-coumaroyl glycosides,none,none,none,none,none
12795736,delta7-Avenasterol,OtherMutliCpd,Compound,C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C,MCWVPSBQQXUCTB-OQTIOYDCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
12795893,"ent-Epicatechin-(4alpha->8)-ent-epicatechin 3	3'-digallate",OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,KTLUHRSHFRODPS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
12850019,19-Oxotestosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C=O,TXNCGXATKOMEQC-KOUJMVCDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
12855917,Ginsenoside Rh1,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C,RAQNTCRNSXYLAH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12865558,"1E-PHENYL-4E-(1-PHENYLETHYL)-1	2	3	4-TETRAHYDRONAPHTHALENE",OtherMutliCpd,Compound,CC(C1CCC(C2=CC=CC=C12)C3=CC=CC=C3)C4=CC=CC=C4,GJJWHYDGEZUFOW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
12895043,"24	25-Dihydroxyvitamin D",OtherMutliCpd,Compound,C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C,FCKJYANJHNLEEP-OIMXRAFZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
12901617,Ginsenoside Rg3,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C,RWXIFXNRCLMQCD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
12918533,Calcitroic acid,OtherMutliCpd,Compound,C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,MBLYZRMZFUWLOZ-WLWRUGSRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
12928004,"3	5-dihydroxy-4-methoxybenzaldehyde",OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)C=O)O,UAFQVVYJCLAIGY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
12980878,61295-44-1,OtherMutliCpd,Compound,CC1=C(C=CO1)SC(C)C(=O)C,AOEYNSLUBHRZPA-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Aryl thioethers,Aryl thioethers,none,none,none,none,none,none
12989303,(R)-N-Methylsalsolinol,OtherMutliCpd,Compound,C[C@@H]1C2=CC(=C(C=C2CCN1C)O)O,RKMGOUZXGHZLBJ-SSDOTTSWSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
13001421,UNII-3F076NX5P9,OtherMutliCpd,Compound,C1OC2=C(O1)C=C(C=C2)/C=C\C=C\C(=O)O,RHBGITBPARBDPH-HSFFGMMNSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
13012726,A-Ketoglutaric acid oxime,OtherMutliCpd,Compound,C(CC(=O)O)/C(=N\O)/C(=O)O,RSXBEVMDACDZRB-ZZXKWVIFSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,Dicarboxylic acids and derivatives,none,none,none,none,none,none
13026600,ETHYL 2-HYDROXY-3-METHYLVALERATE,OtherMutliCpd,Compound,CCC(C)C(C(=O)OCC)O,TXLBCYISDOYPIH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
13068663,2-Acetyl-5-methylpyridine,OtherMutliCpd,Compound,CC1=CN=C(C=C1)C(=O)C,SBFBKLLKNHMBOH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
13072270,"23S	25-Dihydroxyvitamin D3",OtherMutliCpd,Compound,C[C@H](CC(CC(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C,JVBPQHSRTHJMLM-UXHBOMOISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
13105359,(5E)-HEXADEC-5-ENOIC ACID,OtherMutliCpd,Compound,CCCCCCCCCC/C=C/CCCC(=O)O,KVXIRQZWCOAYRD-VAWYXSNFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
13118283,Furanogermenone,OtherMutliCpd,Compound,CC1CC/C=C(\CC2=C(CC1=O)C(=CO2)C)/C,ZLESWHXADLWJPV-YHYXMXQVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Germacrane sesquiterpenoids,none,none,none,none,none,none
13120901,4-Deoxyerythronic acid,OtherMutliCpd,Compound,C[C@H]([C@H](C(=O)O)O)O,LOUGYXZSURQALL-PWNYCUMCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
13132095,Lumequic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCCCC(=O)O,QXYCISFUJXCMSU-MDZDMXLPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
13186539,SCHEMBL17393687,OtherMutliCpd,Compound,CC(CCC(C1=COC=C1)O)O,AORCXYMSPVAQIZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
13188898,SCHEMBL110262,OtherMutliCpd,Compound,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O,GSTCPEBQYSOEHV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
13241205,6b-Hydroxymethandienone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)C[C@H](C4=CC(=O)C=C[C@]34C)O,OBCJFTMGLMNCTJ-INIPNLRTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
13250360,"1-(3-Methoxy-4	5-methylenedioxyphenyl)-2-propene-1-ol",OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)C(C=C)O,LCVLPWQYHIJWCD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
13254471,"2-(3	4-dihydroxyphenyl)-5-hydroxy-7-{[3	4	5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3	4-dihydro-2H-1-benzopyran-4-one",OtherMutliCpd,Compound,C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O,RAFHNDRXYHOLSH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
13267935,2-Hydroxyestradiol-3-methyl ether,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)OC,MMKYSUOJWFKECQ-SSTWWWIQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrane steroids,none,none,none,none,none,none
13270020,3-O-Galloylhamamelitannin,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,KCQFLGUEZXYOER-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
13308867,62458-64-4,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C=CC(=C1)C(=O)C)O,SXPHHWILAWXFLE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
13337758,"1-(4-HYDROXY-3-METHOXYPHENYL)-7-PHENYLHEPTANE-3	5-DIONE",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC=CC=C2)O,NMQRUGZIKWUACB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
13341683,SCHEMBL5493689,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)C,HUQABGDIJUXLRG-QHCPKHFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,1-alkyl--2-acylglycerols,none,none,none,none,none,none
13343540,Auraptenol,OtherMutliCpd,Compound,CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O,SQSRYWNOKPJENY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
13362142,HE390930,OtherMutliCpd,Compound,CC(C(=O)NC1C(SC1(C)C)(C)C)N,none,none,none,none,none,none,none,none,none,none,none,none
13362146,SCHEMBL4591,OtherMutliCpd,Compound,CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N,IVBOUFAWPCPFTQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
13370031,SCHEMBL12620734,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O,HELXLJCILKEWJH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,Steviol glycosides,none,none,none,none,none
13377094,Apigenin 4'-O-glucoside,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O,none,none,none,none,none,none,none,none,none,none,none,none
13386145,Chikusetsusaponin Ia,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C)C)O)C)O)C,DGSOBIYFLJXVQZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13411738,"2-methyl-1-[2	4	6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one",OtherMutliCpd,Compound,CC(C)C(=O)C1=C(C(=C(C=C1O)O)CC=C(C)C)O,IOBXAMCSYCVNET-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
13412789,"8-HYDROXY-1-METHOXY-3-METHYL-9	10-DIHYDROANTHRACENE-9	10-DIONE",OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC,KVRUANCWPQJDMF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
13473703,ST077156,OtherMutliCpd,Compound,C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O,HJBUYKZTEBZNSH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
13497961,SCHEMBL10394417,OtherMutliCpd,Compound,CC1=CC(=C(C=C1C2=C(C(=O)C(=O)C(=C2)C(C)C)C)C(C)C)O,SFQOHOOISXSOPJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
13499471,OR156821,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)/C=C\C2=CC(=CC(=C2)O)O)O,BKJYMZRGLINXRP-IHWYPQMZSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
13556468,IQX4U3PABG,OtherMutliCpd,Compound,COC1=CC(=CC(=C1)/C=C\C2=CC=CC=C2)OC,BIYGTLDPTJMNET-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
13628864,"4	8-Dimethylnonanoic acid",OtherMutliCpd,Compound,CC(C)CCCC(C)CCC(=O)O,VZPIUNDOWLDCTC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
13632870,No_auto_id,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C,FNRBOAGVUNHDIL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13632905,soyasapogenol B monoglucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,NARQRJFIZNOSJV-JIHAXZPOSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
13644660,MEGxp0_000035,OtherMutliCpd,Compound,C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)OC(=CC3=O)C5=CC=C(C=C5)O)O)O)O)O,OVMFOVNOXASTPA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
13647412,MLS000863612,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O,LKZDFKLGDGSGEO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
13653335,SCHEMBL13629631,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O,OXVUXGFZHDKYLS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13662207,(Methoxymethoxy)phenylacetaldehyde,OtherMutliCpd,Compound,COCOC(C=O)C1=CC=CC=C1,YHRYIGKHZVPXAD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylacetaldehydes,Phenylacetaldehydes,none,none,none,none,none,none
13704003,"7	8-methylenedioxy-coumarin",OtherMutliCpd,Compound,C1OC2=C(O1)C3=C(C=C2)C=CC(=O)O3,OZRUEXJYRHKIJC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
13704005,"4-methoxy-6H-[1	3]dioxolo[4	5-g]chromen-6-one",OtherMutliCpd,Compound,COC1=C2C(=CC3=C1OCO3)C=CC(=O)O2,GDJFGAQXNUYMPM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
13708642,monobenzoyltartaric acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O,JXXURQWKKCNUBH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
13710713,Ammonium hydrogencitrate,OtherMutliCpd,Compound,C(C(=O)O)C(CC(=O)O)(C(=O)O)O.N.N,YXVFQADLFFNVDS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
13733133,CHEMBL80387,OtherMutliCpd,Compound,CCCCCCCCC(=O)/C=C/C1=CC(=C(C=C1)O)OC,XTOVKVSJGYAHKG-ZRDIBKRKSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
13733135,[7]-Paradol,OtherMutliCpd,Compound,CCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC,CNKCFVAEACZBPL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Paradols,none,none,none,none,none,none
13734178,Diacylglycerol(30:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC,NYNQTTOUQMCOEM-HKBQPEDESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
13747834,No_auto_id,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C,none,none,none,none,none,none,none,none,none,none,none,none
13778220,"9-ethyl-3-(hydroxymethyl)-1	7-dioxaspiro[5.5]undecan-4-ol",OtherMutliCpd,Compound,CCC1CCC2(CC(C(CO2)CO)O)OC1,VDWRKBZMQNPUOB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Acetals,Ketals,none,none,none,none,none
13781857,SCHEMBL258530,OtherMutliCpd,Compound,C1[C@@H](NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,MSTNYGQPCMXVAQ-PXYINDEMSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,Tetrahydrofolic acids,none,none,none,none
13783449,11-DEHYDROCORTICOSTERONE,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4C(=O)CO)C,FUFLCEKSBBHCMO-IWBQTIMDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
13783498,N(6)-(Octanoyl)lysine,OtherMutliCpd,Compound,CCCCCCCC(=O)NCCCCC(C(=O)O)N,DUZODDYGMSCYMJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
13783824,17-beta-estradiol-3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,MUOHJTRCBBDUOW-BFXFFQJBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
13803637,Isomedicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C=C(C=C4)O,YHZDBBUEVZEOIY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
13844304,Anwulignan,OtherMutliCpd,Compound,CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC,QDDILOVMGWUNGD-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,none,Dibenzylbutane lignans,none,none,none,none,none,none
13845930,Hydroxytyrosol 1-O-glucoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)O)O)O)O,PQQITYGQJLPDFC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
13845970,"7	3'-Dimethylorobol",OtherMutliCpd,Compound,COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O,NMQZMHHAWZDJOJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
13857953,Deacetylnomilin,OtherMutliCpd,Compound,CC1(C2CC(=O)C3(C(C2(C(CC(=O)O1)O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C,HWAJASVMTDEFJN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Limonoids,none,none,none,none,none,none
13864714,1-HYDROXYOCTAN-3-ONE,OtherMutliCpd,Compound,CCCCCC(=O)CCO,VGFJNJIGFHOBEJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
13870433,6-Deoxocastasterone,OtherMutliCpd,Compound,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O,VXBLCLVRWCLEOX-BFYSZXNBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
13870570,Malabaricano,OtherMutliCpd,Compound,CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C,GMXMKSFJQLFOSO-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--7'-epoxylignans,none,none,none,none,none,none
13870574,Fragransin B2,OtherMutliCpd,Compound,CC1C(C(OC1C2=CC(=C(C(=C2)OC)O)OC)C3=CC(=C(C(=C3)OC)O)OC)C,CAUANPLJFMVCHO-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--7'-epoxylignans,none,none,none,none,none,none
13871818,Puddumin A,OtherMutliCpd,Compound,COC1=C2C(=O)CC(OC2=CC(=C1)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O,YKLXLXHFKNDXOH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
13873655,3-isomangostin,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1OC)O)OC3=CC4=C(CCC(O4)(C)C)C(=C3C2=O)O)C,KJCDBAVVDILRMP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
13873657,105037-94-3,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C(=C(C=C3O2)O)CC=C(C)C)O)O)C,XEWOBYXKXJFGNN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
13873658,3-Isomangostin Hydrate,OtherMutliCpd,Compound,CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(C(=C(C=C4O3)O)OC)CCC(C)(C)O)C,REZOIULTUMSCRT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
13873659,1-Isomangostin Hydrate,OtherMutliCpd,Compound,CC1(CCC2=C(C=C3C(=C2O1)C(=O)C4=C(C(=C(C=C4O3)O)OC)CCC(C)(C)O)O)C,QEERGWNVXZILOR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
13878339,Phytolaccinic acid,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C(=O)OC,YAGYBNOEVSEGSL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13885696,12a-Hydroxydolineone,OtherMutliCpd,Compound,C1C2C(C3=CC4=C(C=C3O1)OCO4)(C(=O)C5=C(O2)C=C6C(=C5)C=CO6)O,HLEAVDSSZUIWQI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
13886678,Sativanone,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC,JOVYBWHPTQRVNZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
13887800,MolPort-007-981-149,OtherMutliCpd,Compound,C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,YNMFDPCLPIMRFD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
13888121,"2	3	4	6-Tetragalloyl-D-glucopyranose",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,RJINLRBSXMOGAQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
13889681,Verbasoside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O,DORPKYRPJIIARM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
13890715,ent-17-Hydroxykaur-15-en-19-oic acid,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)C(=C4)CO)(C)C(=O)O,XEQHVCXFKPCQNM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
13893944,AC1Q1J8O,OtherMutliCpd,Compound,CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)C,WZAMDSBJONFHAO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13894650,gamma-glutamyl-s-methylcysteine,OtherMutliCpd,Compound,CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N,UPCDLBPYWXOCOK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
13894652,SCHEMBL237466,OtherMutliCpd,Compound,CSCCC(C(=O)O)NC(=O)CCC(C(=O)O)N,RQNSKRXMANOPQY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
13894653,gamma-L-Glutamyl-L-methionine sulfoxide,OtherMutliCpd,Compound,CS(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N,NEVSWSOSRAOCGK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
13908542,Ethyltestosterone,OtherMutliCpd,Compound,CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,FGPGANCDNDLUST-CEGNMAFCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
13915667,"5	7-dihydroxy-3-{[3	4	5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3	4	5-trihydroxyphenyl)-1$l;{4}-chromen-1-ylium",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O,XENHPQQLDPAYIJ-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
13917179,"(9Z	12Z	14E)-16-Hydroxy-9	12	14-octadecatrienoic acid",OtherMutliCpd,Compound,CCC(/C=C/C=C\C/C=C\CCCCCCCC(=O)O)O,ILSZLGCGBGSHFR-CGLYFWTESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
13917187,"(9S	10E	12Z	15Z)-9-Hydroxy-10	12	15-octadecatrienoic acid",OtherMutliCpd,Compound,CC/C=C/C/C=C/C=C/C(CCCCCCCC(=O)O)O,RIGGEAZDTKMXSI-JPAZTHTMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
13919536,Gypsogenin 3-O-b-D-glucuronide,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C,NUSHOJSYOLRGAX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
13922633,SCHEMBL15394649,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O,CKGKQISENBKOCA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
13922637,"3	4	5-Trimethoxyphenyl glucoside",OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)O,NBLLRWANAFOKON-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
13932051,1-Methoxy-3-methylene-2-pentanone,OtherMutliCpd,Compound,CCC(=C)C(=O)COC,PEPJPZZZBHWOCM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,none,none,none,none,none,none
13932172,"7Z	10Z-hexadecadienoic acid",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCC(=O)O,WPJGPAAPSBVXNU-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
13934285,"14-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2	6	6	11	15-pentamethyltetracyclo[8.7.0.0;{2	7}.0;{11	15}]heptadeca-1(17)	9-dien-5-ol",OtherMutliCpd,Compound,CC(CC/C=C(\C)/CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C,AOXXVRDKZLRGTJ-AWQFTUOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13939349,"2-chloro-1	3-dimethoxy-5-methylbenzene",OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)OC)Cl)OC,IOXKXMFPMHDABX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
13942822,Austalide K,OtherMutliCpd,Compound,CC1=C2C(=C(C3=C1COC3=O)OC)CC4C5(CCC(=O)C(C5CCC4(O2)C)(C)C)C,JCUWKPURUZEBFJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanols,none,none,none,none,none,none
13944248,Alkhanol,OtherMutliCpd,Compound,CC1C2CCC3(C(CC(C(=C3C2OC1=O)C)O)O)C,FTWSMHMWRDSQDU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Sesquiterpene lactones,Eudesmanolides-- secoeudesmanolides-- and derivatives,none,none,none,none,none
13953341,Benzoylmalic acid,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O,NVPJTXMOQCANSN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
13963863,"7-(3	4-DIMETHYL-5-PENTYLFURAN-2-YL)HEPTANOIC ACID",OtherMutliCpd,Compound,CCCCCC1=C(C(=C(O1)CCCCCCC(=O)O)C)C,RFNALLFQILGKLF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Heterocyclic fatty acids,Furanoid fatty acids,none,none,none,none,none
13963867,"2-Furanundecanoic acid	 3	4-dimethyl-5-pentyl-",OtherMutliCpd,Compound,CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)O)C)C,MCTXSZNBSIMKTO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
13963918,3'-Hydroxydihydroformononetin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O,YGHJHKYZTVTYQW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
13964005,BR-xanthone A,OtherMutliCpd,Compound,CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C5CCC(OC5=C(C=C4O3)O)(C)C)C,QFURCBFEIGTKCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
13964506,"2-(4-ethenylphenoxy)-6-{[(3	4	5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3	4	5-triol",OtherMutliCpd,Compound,C=CC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O,DZMYOBBWRZTUTA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
13964509,4CN-2318,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=C)CO)O)O)O)O)O,DIBOBJSTTKLQQV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
13965320,CHEMBL551871,OtherMutliCpd,Compound,CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C=O)O)OC(=O)C)OC(=O)C)OC(=O)C,VXYDWKUAOQVOOL-YMQHIKHWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
13967189,1-Methyl-2-nonylquinolin-4(1H)-one,OtherMutliCpd,Compound,CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C,XIGBBPQAXHSVSN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinolones and derivatives,Hydroquinolones,none,none,none,none,none,none
13970053,psi-Taraxasteryl acetate,OtherMutliCpd,Compound,CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)OC(=O)C)C,DYTVUYVLJDSMFA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
13988328,"2	8-dihydroxy-4-quinolinecarboxylic acid",OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)NC(=O)C=C2C(=O)O,DVEVPRIOUKVFAM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Quinoline carboxylic acids,Quinoline carboxylic acids,none,none,none,none,none,none
13990213,Chenodeoxycholic acid disulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C,BWXSDJHAJWTEAD-BSWAIDMHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Bile acids-- alcohols and derivatives,none,none,none,none,none,none
13990885,Pavetannin B6,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C5C6C(C(OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,BYSRPHRKESMCPO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
13990886,Pavetannin B2,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@H]([C@H](OC4=C5[C@@H]6[C@H]([C@@](OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,BYSRPHRKESMCPO-SAPOJKNTSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
13990892,ent-Epicatechin-(4alpha->6)-ent-epicatechin,OtherMutliCpd,Compound,C1C(C(OC2=CC(=C(C(=C21)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O,GMISZFQPFDAPGI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
13993677,Methoxybrassitin,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)CNC(=O)SC,BHXCFNZULGNWRA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
13995448,8-Hydroxypinoresinol 8-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C3COC(C3(CO2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)OC)O,DRAPQDCEBKBPQE-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
14003887,UNII-A4I0P21KNV,OtherMutliCpd,Compound,CCCC1=CC=NN1C2=CC=CC=C2,VICXKFLOMKMGEH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
14009228,19-Noretiocholanolone,OtherMutliCpd,Compound,C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CCC2=O)O,UOUIARGWRPHDBX-DHMVHTBWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
14015408,MEGxp0_000375,OtherMutliCpd,Compound,CC(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2)CC=C)OC,PDALBPBLFWHDRD-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
14015984,4-OH-Retinal,OtherMutliCpd,Compound,CC1=C(C(C(CC1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,NCIHLRCJOBKKAL-ZBSJWCJSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
14016776,Apigenin 7-sulfate,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O,UQUHXFINOFUDCC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
14016780,Luteolin 7-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O,NTLSJCCPWSJISD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
14019526,Dihydroxyfumitremorgin C,OtherMutliCpd,Compound,CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)C,CPHRCQUGNAGVIB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Pyridoindoles,Beta carbolines,none,none,none,none,none,none
14033762,57061-18-4,OtherMutliCpd,Compound,COC(=O)CC1(C2=CC=CC=C2NC1=O)O,BHWUWPHGCCRYBU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
14034125,SCHEMBL2054079,OtherMutliCpd,Compound,COC1=C(C=C(C2=C1C(=O)C3=C(O2)C(=CC=C3)O)O)O,POWRXIZFZXGLOK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
14039008,Piperolactam D,OtherMutliCpd,Compound,COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O,PHKYZFGDNGACRM-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aristolactams,none,Aristolactams,none,none,none,none,none,none
14044557,"3-chloro-2	3-diphenylpropanoic acid",OtherMutliCpd,Compound,C1=CC=C(C=C1)C(C(C2=CC=CC=C2)Cl)C(=O)O,VOJMFBIGBOWOLA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
14048817,2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)Cl)C(=CN2)CC(C(=O)O)N,NRTHKYABOMUPSC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
14055602,Cellulose gel,OtherMutliCpd,Compound,COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC)CO)CO,PTHCMJGKKRQCBF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
14055735,Myrianthic acid,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O,YCOKATFNRPZIIU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14056365,Pseudoisoeugenol 2-methylbutanoate,OtherMutliCpd,Compound,CCC(C)C(=O)OC1=C(C=C(C=C1)OC)/C=C/C,YARRWVYKHJNVHX-FNORWQNLSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
14059499,Melilotigenin,OtherMutliCpd,Compound,CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5=O)(C)C(=O)O)C)C)C)(C)CO)O,MVTZJCYINFKILV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14077265,4-Methoxymedicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)O,IPDALSAPRYQWGQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
14077415,ST077127,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2=O)CO)O,KIZBWUUJNJEYCM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
14077419,4839-60-5,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC4C(C(C(C(O4)CO)O)O)O,QKPDYSSHOSPOKH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
14077782,Fumonisin A2,OtherMutliCpd,Compound,CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)NC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,GQCJWFPDXATUKS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Fumonisins,Fumonisins,none,none,none,none,none,none
14081290,(20R)-Ginsenoside Rh2,OtherMutliCpd,Compound,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C,CKUVNOCSBYYHIS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14109389,Ganoderic acid B,OtherMutliCpd,Compound,CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C,LWPLEHFGBRFRKI-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14109402,Ganoderic acid A,OtherMutliCpd,Compound,CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)O,DYOKDAQBNHPJFD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14109911,UNII-HLT92D5DPQ,OtherMutliCpd,Compound,C/C=C\CC1=C(C(=O)CCC1(C)C)C,CVDHBGKYPTUEAA-WAYWQWQTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,Cyclohexenones,none,none,none,none
14121774,SCHEMBL9508337,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C(C)(C)OC,YCCVSCJOXISVEI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
14130922,Quercetin 3-galactoside 7-rhamnoside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O,OTUCXMIQUNROBJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
14133589,Gravelliferone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(C)(C)C=C)O)C,HEPYYVMIJBDNIM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
14136859,ligstroside,OtherMutliCpd,Compound,C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O,GMQXOLRKJQWPNB-MVVLSVRYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Terpene glycosides,none,none,none,none,none,none
14137568,SCHEMBL2964356,OtherMutliCpd,Compound,COC1=CC(=C2CCC(OC2=C1)C3=CC=C(C=C3)O)OC,AVMGPGZQJKDABF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
14137704,MLS000863628,OtherMutliCpd,Compound,CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)O,SLWJVQQNDGLXTK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14158117,1-O-(4-Coumaroyl)-beta-D-glucose,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,DSNCQKUYZOSARM-QVLXMGEUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acid esters,Hydroxycinnamic acid glycosides,none,none,none,none,none
14159173,93078-83-2,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1)O)C(=O)C(CO2)CC3=CC=C(C=C3)O)O,QALFGMCBICJHPI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
14162529,N-(2-METHYLPROPYL)HEXACOSANAMIDE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C,none,none,none,none,none,none,none,none,none,none,none,none
14162549,Momordin I,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)O)C,HWYBGIDROCYPOE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
14162621,atalantoflavone,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C,YEUHAZULDUVZLA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
14162674,110187-11-6,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)OC)C,AAANZTDKTFGJLZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
14162675,SCHEMBL3416379,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C=C3)O)OC)C,QKSNMZWDGXOPMT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
14162691,Vicinin 2,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O,none,none,none,none,none,none,none,none,none,none,none,none
14164881,"4'	5	7-Trihydroxy-3-methoxyflavanone",OtherMutliCpd,Compound,COC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,JRLDUAGSJUMVDP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3-O-methylated flavonoids,none,none,none,none,none,none
14165048,DELTA6-Dehydroferruginol,OtherMutliCpd,Compound,CC(C)C1=C(C=C2C(=C1)C=CC3C2(CCCC3(C)C)C)O,NCHINJPZLGMLCY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
14185731,KAEMPFEROL 3-O-B-D-GLUCURONIDE,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O,FNTJVYCFNVUBOL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-3-O-glucuronides,none,none,none,none
14187587,Isoglycycoumarin,OtherMutliCpd,Compound,CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)C,PHHAXWBLJNBVNS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Hydroxyisoflavonoids,Hydroxyisoflavonoids,none,none,none,none,none,none
14206111,3-(Isothiocyanatomethyl)-1-methoxy-1H-indole,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)CN=C=S,FLURSKCCKANNKS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
14213968,7-Hydroxy-2-oxo-2H-1-benzopyran-6-carbaldehyde,OtherMutliCpd,Compound,C1=CC(=O)OC2=CC(=C(C=C21)C=O)O,YYVVBACXPUHKFH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
14218027,(2S)-abyssinone II,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C,CGKWSLSAYABZTL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,3'-prenylated flavans,3'-prenylated flavanones,none,none,none,none,none
14232703,Retinoyl CoA,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O)/C)/C,GREHPZMOJNYZIO-QXBAZQDESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
14236710,LMST01160019,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
14237687,"2-[3	5-Dihydroxy-4-[(2E)-3	7-dimethyl-2	6-octadienyl]phenyl]benzofuran-6-ol",OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C(C=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)/C)C,ODASNNUHHLRPEL-FRKPEAEDSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
14249191,116229-37-9,OtherMutliCpd,Compound,CC(C)C(CO)S,QBYYSQQYPUMFOX-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
14251857,4-(BUTOXYMETHYL)PHENOL,OtherMutliCpd,Compound,CCCCOCC1=CC=C(C=C1)O,GGPCJIKQXDNJJY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
14252429,SCHEMBL12229000,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CC(OC5OC4=C1)O,PFQSKXVNBUHPIW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
14253342,L-gamma-glutamyl-L-isoleucine,OtherMutliCpd,Compound,CCC(C)C(C(=O)O)NC(=O)CCC(C(=O)O)N,SNCKGJWJABDZHI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
14259008,7-HYDROXYHEXADECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCC(=O)O)CCCC(CCCCCC(=O)O)O,BNKCVLYEVLBHCL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
14274616,SCHEMBL9974069,OtherMutliCpd,Compound,C1=C(N(C(=C1)C=O)CCCCC(C(=O)O)N)CO,VTYFITADLSVOAS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
14274981,Cholesteryl nonadecanoate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,VHYWECIJXTVRSG-TVDLSCFRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
14275229,1-pentadecanoyl-2-hexadecanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC,PENDWALPEZESAS-YTTGMZPUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
14275341,1-myristoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,XEQQGHISHUGMIP-ASUORMEESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
14275352,1-myristoyl-2-linoleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,WVBVUWWRPSWGDS-JWVBYZEHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275359,"DG(14:0/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,UBVNVODYHAMTDT-IRAKIBEVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275365,1-pentadecanoyl-2-octadecanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC,LEZKFBVFTOZLID-UMSFTDKQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
14275367,1-pentadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,GWAPRYUVSHVZHN-PDGPHRJUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
14275369,"1-pentadecanoyl-2-(9Z	12Z-octadecadienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,ALJOQAHFNXMDAB-DLUHYBPJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275371,"1-pentadecanoyl-2-(9Z	12Z	15Z-octadecatrienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,UARHXHPRJDJCKE-QECOYPFHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275390,"DG(16:0/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,YFBCIDURFTWKDQ-OGFNIKLTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275403,"DG(18:1(9Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,MMKHFCYHSNLQRO-MICHFLGGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275409,"DG(18:2(9Z	12Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,ZDBLXLQFRZTIIU-ZEYSAPHZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14275411,"DG(18:3(6Z	9Z	12Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,JVRVKOOOXHGJKI-ITLZUPGPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
14282765,(+)-Isoxanthochymol,OtherMutliCpd,Compound,CC(=CCC1CC23CC(C(OC2=C(C(=O)C(C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)(C)C)CC=C(C)C)C,KXTNVBQRLRYVCO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
14283260,(+)-Zeylenol,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)OCC2(C(C=CC(C2O)OC(=O)C3=CC=CC=C3)O)O,AWCUZBLYCWUTRL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
14284576,L-beta-aspartyl-L-alanine,OtherMutliCpd,Compound,CC(C(=O)O)NC(=O)CC(C(=O)O)N,ARSVRKCVNFIICJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
14284578,"5	7-dihydroxy-2-(3	4	5-trihydroxyphenyl)-8-[3-(2	4	6-trihydroxyphenyl)-1-(3	4	5-trihydroxyphenyl)-2-[(3	4	5-trihydroxyphenyl)carbonyloxy]propyl]-3	4-dihydro-2H-1-benzopyran-3-yl 3	4	5-trihydroxybenzoate",OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C(C3=CC(=C(C(=C3)O)O)O)C(CC4=C(C=C(C=C4O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O,SKYSKYXPHIEIOH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
14284588,"5	7-dihydroxy-2-(3	4	5-trihydroxyphenyl)-6-[3-(2	4	6-trihydroxyphenyl)-1-(3	4	5-trihydroxyphenyl)-2-[(3	4	5-trihydroxyphenyl)carbonyloxy]propyl]-3	4-dihydro-2H-1-benzopyran-3-yl 3	4	5-trihydroxybenzoate",OtherMutliCpd,Compound,C1C(C(OC2=CC(=C(C(=C21)O)C(C3=CC(=C(C(=C3)O)O)O)C(CC4=C(C=C(C=C4O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O,BQUPFUJDKCDVAE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
14284610,"1	4	6-Trigalloyl-beta-D-glucopyranose",OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,SUAXOYITDJNGFM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,none,Tannins,none,none,none,none,none,none
14299935,"D-1	5-Anhydrofructose",OtherMutliCpd,Compound,C1C(=O)C(C(C(O1)CO)O)O,OCLOLUFOLJIQDC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Oxanes,none,Oxanes,none,none,none,none,none,none
14309735,xanthogalenol,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)OC)C,ALGFNVZQNNGHPA-YRNVUSSQSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
14311149,Petunidin 3-galactoside,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O,CCQDWIRWKWIUKK-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
14311158,delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O,FNFHDAUGLIPVPU-XQKZCQIMSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
14311739,Clerosterol 3-glucoside,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(=C)C,FKZKAGYCKXYXKP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
14332897,4'-O-methyepicatechin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O,ZHDMPVIDHWJGTN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
14332898,UNII-BC0H39ZW0B,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)O)O,ZHDMPVIDHWJGTN-CZUORRHYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
14332899,3'-O-Methylcatechin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)O)O,NJHJXXLBWQXMRO-XJKSGUPXSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
14344497,92015-65-1,OtherMutliCpd,Compound,CC1CCC2C(C(=O)OC2C1)C,FGDINYRLQOKVQS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzofurans,none,Benzofurans,none,none,none,none,none,none
14345562,(+)-Catechin 8-C-glucoside,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(C(C(O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O,XWDHVYPMZCGHNM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
14345564,3-Glucogallic acid,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)C(=O)O,XRCRYNCPNYQMOB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
14345581,"{3	4	5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl}methyl 3	4	5-trihydroxybenzoate",OtherMutliCpd,Compound,CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O,BJYRNIFAMMOVGW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
14345589,NSC733505,OtherMutliCpd,Compound,CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)/C=C/C3=CC=CC=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,AHLBWJHZDLMJOJ-SDNWHVSQSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
14349486,"5	6-Dimethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3)OC,GHLJEZSMMHWXTR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
14349487,"5""6-dihydroxyflavone",OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3O)O,AGZAGADSYIYYCT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
14352555,"N-[3'	4'-Dihydroxy-(E)-cinnamoyl]-L-tyrosine",OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O)O,JRXLVUMFJASLDR-XBXARRHUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
14353343,"4'	5	8-Trihydroxyflavanone",OtherMutliCpd,Compound,C1C(OC2=C(C=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,SMRHIFAZRRVAQZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
14353376,"5-Hydroxy-7	8	4'-trimethoxyflavone",OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC,RRZRJBICWWNHRB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
14353457,MEGxp0_000808,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O,DDELFAUOHDSZJL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
14363437,3-(2-Furanylmethyl)-1H-pyrrole,OtherMutliCpd,Compound,C1=COC(=C1)CC2=CNC=C2,JDTQSHKXSIWHGV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
14376403,Bolegrevilol,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=CC(=C1OC(=O)C)O)O)/C)/C)/C)C,MZWQVUHXBWQZLY-MLAGYPMBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
14376438,Trigraecum,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3)O,BJBKXYIIWYIZCX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
14379528,"3	8-dihydroxy-1-methylanthraquinone-2-carboxylic acid",OtherMutliCpd,Compound,CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC=C3)O,MHABMANUFPZXEB-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthracenecarboxylic acids and derivatives,Anthracenecarboxylic acids,none,none,none,none,none,none
14380428,Hallacridone,OtherMutliCpd,Compound,CC(=O)C1=CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C,GZVRDNACRGJZNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
14391671,"4-HEXYLCYCLOPENTANE-1	3-DIONE",OtherMutliCpd,Compound,CCCCCCC1CC(=O)CC1=O,XVMHOOYMJFUEQW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,1--3-dicarbonyl compounds,Beta-diketones,none,none,none,none,none
14395299,Ganodermatriol,OtherMutliCpd,Compound,CC(CCC=C(CO)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C,LIJZGBVDQCTWLG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14396469,"3	4	4'-Trihydroxy-5	5'-diisopropyl-2	2'-dimethylbiphenyl",OtherMutliCpd,Compound,CC1=CC(=C(C=C1C2=CC(=C(C(=C2C)O)O)C(C)C)C(C)C)O,HNHWYZDOESMBLD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenols,Biphenols,none,none,none,none,none,none
14409079,"3'-hydroxy-e	e-caroten-3-one",OtherMutliCpd,Compound,CC1=CC(CC(C1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(=O)CC2(C)C)C)/C)/C)(C)C)O,OTHWKRBAHPOBSP-DKLMTRRASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
14412557,SCHEMBL1114505,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,ACSWAJLDOHJFNA-VMPITWQZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
14427359,"6	8-Di-C-glucopyranosylnaringenin",OtherMutliCpd,Compound,C1C(OC2=C(C1=O)C(=C(C(=C2C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O,KLDARLGFVGIIIL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
14427372,12a-Hydroxymunduserone,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C(=O)C3(C(O2)COC4=CC(=C(C=C43)OC)OC)O,APAWOEBSLLGWDF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
14427389,Muscomin,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1OC)O)OCC(C2=O)CC3=CC=C(C=C3)O)O,PGCPWPPPMWXCMG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
14429402,"4H-1-Benzopyran-5-acetic acid	 7-hydroxy-2-methyl-4-oxo-",OtherMutliCpd,Compound,CC1=CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O,AWGUDSPRBOCEJK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
14429495,Casegravol isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)OCC(C)(/C=C/C1=C(C=CC2=C1OC(=O)C=C2)OC)O,FPSUCNLAFSYJJZ-MDZDMXLPSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
14440537,(8)-Gingerdione,OtherMutliCpd,Compound,CCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC,QDSRAFNZQKMHPZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiones,none,none,none,none,none,none
14440539,[10]-Gingerdione,OtherMutliCpd,Compound,CCCCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC,QPSYZJDGMPQMSV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiones,none,none,none,none,none,none
14443308,3-oxo-Tetradecanal,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)CC=O,XLYLQUQHYUOPIW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
14463134,5-Methoxynoracronycine,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=CC=C4)OC)C,UNXDMEUOZWETRG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
14463142,"1	2-Di-O-myristoyl-3-O-(6-sulfoquinovopyranosyl)glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCC,QYYCNBNXSCGWDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,Glycosyldiradylglycerols,Glycosyldiacylglycerols,Sulfoquinovosyldiacylglycerols,none,none,none,none
14463145,"1	2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC,RVUUQPKXGDTQPG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,Glycosyldiradylglycerols,Glycosyldiacylglycerols,Sulfoquinovosyldiacylglycerols,none,none,none,none
14464643,diadenosine triphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4[C@@H]([C@@H]([C@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,QCICUPZZLIQAPA-WGIMJHEJSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
14484690,"2'	5	6-trimethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC)OC,IQWXFMQSQNSHKI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
14487957,CHEMBL484444,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=CC(=C1OC)O)O)/C)/C)/C)C,IYYFMQHGUZBMKD-MLAGYPMBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
14492422,"1	3	5	8-TETRAHYDROXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE",OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)O)C,AQSBDDHXYVQYHC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
14505435,"6Z	9Z	12Z	15Z	18Z-tetracosapentaenoic acid",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,VENRYLMOFDSSDJ-WMPRHZDHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
14506473,MolPort-006-668-567,OtherMutliCpd,Compound,CC1(C2CCC3=C(C2(CC(C1O)O)C)CC(C4(C3(CCC4C(CCC(C(C)(C)O)O)CO)C)C)O)C,YRXIDKUVBPMNRA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14506482,Fasciculic acid B,OtherMutliCpd,Compound,CC(CCC(C(C)(C)O)O)C1CCC2(C1(C(CC3=C2CCC4C3(CC(C(C4(C)C)O)OC(=O)CC(C)(CC(=O)O)O)C)O)C)C,SWRXIGFQDQTNKP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
14520967,3'-Galloylprodelphinidin B2,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O,JSBXKZFDEDBAQA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
14520989,Oolonghomobisflavan A,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2CC3=C(C=C(C4=C3OC(C(C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,BJFGFQSYHAXQPO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
14520995,Oolonghomobisflavan B,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2CC3=C(C=C4C(=C3O)CC(C(O4)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,FKRUMFFNBGSGGM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
14521014,Prodelphinidin A2 3'-gallate,OtherMutliCpd,Compound,C1C(C(OC2=C3C4C(C(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O,WXQMTHFXSUBUEQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
14521083,MEGxp0_000207,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(C(O4)CO)O)O)O,PQQRNPDHSJDAGV-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
14524443,neosakuranin,OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)/C=C/C3=CC=C(C=C3)O)O,MNYVBVCMMNPLJI-QPJJXVBHSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
14526072,(R)-Juziphine,OtherMutliCpd,Compound,CN1CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O,QRKWLDOOAQAGAE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
14526957,"1-[(5	5	8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one",OtherMutliCpd,Compound,CC1(CCCC2(C1CCC(=C)C2CC34C(O3)C(C(=CC4=O)CO)O)C)C,OOIYDCZXWGFDDL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,Cyclohexenones,none,none,none,none
14537343,(24S)-Ergost-4-en-3-one,OtherMutliCpd,Compound,C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,QQIOPZFVTIHASB-WUYCRTRWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
14539879,Kuwanol C,OtherMutliCpd,Compound,CC(=CCCC1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C)C,FBVQKNJIYRJQBU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
14539881,Kuwanol D,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O)/C)C,ARIUOJMONLRTJR-NNVJOTTFSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
14539883,Moracin O,OtherMutliCpd,Compound,CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O,HMTMYIWMPJSCAZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
14539884,Moracin P,OtherMutliCpd,Compound,CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C,QFUCSEIKNTUPPA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
14539910,Laurelliptine,OtherMutliCpd,Compound,COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)O,HORZNQYQXBFWNZ-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
14542258,Citrunobin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C(=C(C=C2OC)O)C(=O)/C=C/C3=CC=C(C=C3)O)C,RPGWAGOTDRYEAD-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
14544211,"4'	7-Dihydroxy-6-methoxyisoflavan",OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)CC(CO2)C3=CC=C(C=C3)O)O,UIGOOLXQMJUBBW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,6-O-methylated isoflavonoids,none,none,none,none,none,none
14556176,"(3beta	5alpha	6alpha	9alpha	22E	24R)-Ergosta-7	22-diene-3	5	6	9-tetrol",OtherMutliCpd,Compound,CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3(C2=CC(C4(C3(CCC(C4)O)C)O)O)O)C,NYMHFYDQBMRBMB-BQYQJAHWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
14557102,artonin A,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)CC5C6=C4C(=CC(=C6OC5(C)C)O)O)O)C=CC(O2)(C)C)C,CYONWSIQFYQFOS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
14557105,Heterophyllin,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)CC=C(C)C)C4=CC(=C(C=C4O)O)O)O)C=CC(O2)(C)C)C,CBYLXVCMCVXUQQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
14558383,NSC729870,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)OC)CCCO)COC4C(C(C(C(O4)CO)O)O)O)O,VTKHRLZMWODHJA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
14583632,"5	7-Dimethoxy-6-methylflavanone",OtherMutliCpd,Compound,CC1=C(C=C2C(=C1OC)C(=O)CC(O2)C3=CC=CC=C3)OC,XYMPWWTYELQXGU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
14585506,"Isoscutellarein 7	8-dimethyl ether",OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC,FTFPXINQVCVDEY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
14597914,4-(1-methylethenyl)benzaldehyde,OtherMutliCpd,Compound,CC(=C)C1=CC=C(C=C1)C=O,IRWAASJGTLXGMV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropenes,Phenylpropenes,none,none,none,none,none,none
14604074,CTK8I1007,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC3=C1OC(C=C3)(C)C)C=C(C(=O)O2)C(C)(C)C=C)C,PIOKBHKPGZHPHS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Linear pyranocoumarins,none,none,none,none,none,none
14604077,Gancaonin L,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC(=C(C=C3)O)O)O)O)C,WSOHPJFMARQRFD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
14604078,Gancaonin M,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)OC)O)O)C,DDLPIQXHEKZHQX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,4'-O-methylisoflavones,none,none,none,none,none
14604080,Gancaonin N,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)OC)O)O)C,STFVTZQCNYBLNE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
14604081,CHEMBL1915459,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O)C,AFJYQKPCJLMHCC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
14605567,SCHEMBL14506358,OtherMutliCpd,Compound,CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O,QYXZQZMPZUEEML-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C19-gibberellins,C19-gibberellin 6-carboxylic acids,none,none,none,none
14630497,"5	2'	4'	5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6''	6''-dimethylpyrano[2''	3'':7	8]flavone",OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C(=C(O3)C4=CC(=C(C=C4O)O)O)CCC(C)(C)O)C,HENAAGIOPZLIKO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
14632996,alpha-Turmerone,OtherMutliCpd,Compound,CC1=CCC(C=C1)C(C)CC(=O)C=C(C)C,XOCANRBEOZQNAQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
14633005,MEGxp0_001214,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CC(C(C=C1)(C)O)O,YRFJMOGROZTYPC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
14671060,pristanal,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCCC(C)C=O,IZJRIIWUSIGEAJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
14680593,artonin F,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC4=C(C2=O)CC5C6=C4C(=CC(=C6OC5(C)C)O)O)O)C,GKWNQOINHKVKOT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
14682370,"2	6-dimethyloct-7-en-3-one",OtherMutliCpd,Compound,CC(C)C(=O)CCC(C)C=C,YKQHXMHPGBDHLV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,none,none,none,none,none,none
14702537,Acrimarine H,OtherMutliCpd,Compound,CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=CC=C5)O)OC)C,LUTVFOXEXBZKQE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
14704357,"(8R	8'R)-Secoisolariciresinol 9-glucoside",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)COC3C(C(C(C(O3)CO)O)O)O)O,DRLPXFRWJUZTMG-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
14704521,Phenylethyl primeveroside,OtherMutliCpd,Compound,C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O,ZRGXCWYRIBRSQA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
14730796,Dihydroformononetin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O,INYISIYHXQDCPK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,none,none,none,none,none,none
14730864,MLS000876754,OtherMutliCpd,Compound,C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O,WOGBNISMMIOPAZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
14753148,"2	4-DIMETHYLHEXAN-1-OL",OtherMutliCpd,Compound,CCC(C)CC(C)CO,GDRBQWCGBCJTLB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
14779021,Oxypinnatanine,OtherMutliCpd,Compound,C1C=C(C(O1)NC(=O)C(CC(C(=O)O)N)O)CO,FKPGGSOHTXQOGP-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
14779505,3-Hydroxystigmast-5-en-7-one,OtherMutliCpd,Compound,CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C,ICFXJOAKQGDRCT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
14804150,6-Methoxymurrayanine,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)NC3=C(C=C(C=C23)C=O)OC,YUERFEQINUDZDT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
14807332,No_auto_id,OtherMutliCpd,Compound,CC(CC(C=C(C)C)O)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)O)O)C=O)C)C,QBXNBPFTVLJTMK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cucurbitacins,Cucurbitacins,none,none,none,none,none,none
14807364,MolPort-019-937-511,OtherMutliCpd,Compound,CC(C)CC(C1=C(C(=C(C(=C1O)C=O)O)C=O)O)C2(CCC3C2C4C(C4(C)C)CCC3(C)O)C,IBLPTYJTKWQCDX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,5--10-cycloaromadendrane sesquiterpenoids,none,none,none,none,none
14825498,"9-(2H-1	3-benzodioxol-5-yl)-4-[(3	4-dimethoxy-5-{[3	4	5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6	7-dimethoxy-1H	3H-naphtho[2	3-c]furan-1-one",OtherMutliCpd,Compound,COC1C(COC(C1OC)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6)OC7C(C(C(C(O7)CO)O)O)O,DDUSFSKGAHCYFG-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
14825856,"3''	4''-Diacetylafzelin",OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C,SXOZSDJHGMAEGZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
14825857,"2''	4''-Diacetylafzelin",OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)C)O)OC(=O)C,VWQNZPASHLNLEM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
14837639,UNII-U0W0KQ1EET,OtherMutliCpd,Compound,CC1=CC(=C(S1)C(=O)C)O,IOOPSZCABYNBDZ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
14841120,Pinostrobin 5-O-glucoside,OtherMutliCpd,Compound,COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)O,PKWCARAECWHBCL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
14841185,Cycloartomunoxanthone,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(O3)C5=C6C(C4)C(OC6=C(C=C5O)OC)(C)C)C,HKEMUQOOVFTSNA-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
14844436,D-Xylulose 1-phosphate,OtherMutliCpd,Compound,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)O,NBOCCPQHBPGYCX-NQXXGFSBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Monosaccharide phosphates,none,none,none,none,none
14861214,Peonidin 3-sophoroside 5-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O,JRZVFIAPPQXNCE-HRTNZEMOSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
14861229,4''-O-Acetylafzelin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC(=O)C,AGQLGMXLTFMOAP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
14863276,4-Acetyl-3-methylpyridine,OtherMutliCpd,Compound,CC1=C(C=CN=C1)C(=O)C,MWTAIRKNMHLZBS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
14864259,MolPort-019-936-761,OtherMutliCpd,Compound,CC1(CCC2C(=C1)C(CC3C2(CCCC3(C)C(=O)O)C)O)C=C,PLKOJNUQWAKPNC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
14865502,SCHEMBL13771671,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)O,QAZIHHJTZPNRCM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
14865845,"pentane-1	2	4	5-tetrol",OtherMutliCpd,Compound,C(C(CO)O)C(CO)O,VHDMXHLHMMROPO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Secondary alcohols,none,none,none,none,none,none
14866157,10250-03-0,OtherMutliCpd,Compound,C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C(=O)O[C@H]3C2)C)O)C,YDCNBSJHGGIZNP-WGGGYHPKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Terpene lactones,none,none,none,none,none,none
14868260,2-hydroxy-3-(4-methoxyphenyl)propanoic acid,OtherMutliCpd,Compound,COC1=CC=C(C=C1)CC(C(=O)O)O,GEDLJGYFEOYKEG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
14887606,8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O,CUIJPIJRAYLBAL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-8-O-glucuronides,none,none,none,none
14889607,Pyroglutamylglutamine,OtherMutliCpd,Compound,C1CC(=O)NC1C(=O)NC(CCC(=O)N)C(=O)O,ILAITOFTZJRIFJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
14889929,2-AMINO-3-[(2-CARBOXY-2-METHYLETHYL)SULFANYL]PROPANOIC ACID,OtherMutliCpd,Compound,CC(CSCC(C(=O)O)N)C(=O)O,QSPWUNSFUXUUDG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
14890565,SCHEMBL13328501,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O,VNLOLXSJMINBIS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
14968868,"9	10	13-TriHOME",OtherMutliCpd,Compound,CCCCC[C@@H](/C=C/[C@H]([C@H](CCCCCCCC(=O)O)O)O)O,NTVFQBIHLSPEGQ-SYMVGPSASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
15030923,(2E)-3-(1H-indol-2-yl)prop-2-enoic acid,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=C(N2)/C=C/C(=O)O,SXOUIMVOMIGLHO-AATRIKPKSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
15108314,7-methoxy-5-prenyloxycoumarin,OtherMutliCpd,Compound,CC(=CCOC1=C2C=CC(=O)OC2=CC(=C1)OC)C,HSJZJYCOXHKDBJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
15127377,CHEMBL188061,OtherMutliCpd,Compound,CC(=CCC1=CC(=C2C(=C1O)OC3=C(C2=O)C=CC=C3O)O)C,BRVVGOBMRRGKCK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
15127378,136364-53-9,OtherMutliCpd,Compound,CC1(C=CC2=CC(=C3C(=C2O1)OC4=C(C3=O)C=CC=C4O)O)C,FPDAJKRMMGCXCC-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
15128425,"3-Furanthiol	 5-methyl-",OtherMutliCpd,Compound,CC1=CC(=CO1)S,HHVWAQYIXICMLT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
15145690,Methoxybrassenin B,OtherMutliCpd,Compound,CON1C=C(C2=CC=CC=C21)C(=O)N=C(SC)SC,NFGCTENDKLNJTI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolecarboxylic acids and derivatives,Indolecarboxamides and derivatives,none,none,none,none,none,none
15172937,"1-(2	4	5-trimethoxyphenyl)-1	2-propanedione",OtherMutliCpd,Compound,CC(=O)C(=O)C1=CC(=C(C=C1OC)OC)OC,UUZQHDNTPXKEID-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
15224382,Cycloartocarpesin,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=C(C=C(C=C4)O)O)C,LXEJWVDCRDILQQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
15225103,3-(4-Methylphenyl)oxirane-2-carboxylic acid,OtherMutliCpd,Compound,CC1=CC=C(C=C1)C2C(O2)C(=O)O,KYFKCKUXXZSOTF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Toluenes,Toluenes,none,none,none,none,none,none
15227613,"5	2'-Dihydroxy-7	4'-dimethoxyflavanone",OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O,SNKAPDDRKJEOFE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
15231525,Artocarpetin B,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)OC)O)OC)C,AGQBGLZQKDLJAR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
15231526,Heteroartonin A,OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1OC)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)C,ONBLHZQNAGITBB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
15232793,"1	17-Heptadecanediol",OtherMutliCpd,Compound,C(CCCCCCCCO)CCCCCCCCO,WNZVVHVYAKZZBU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
15233562,Glyinflanin H,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(O3)C=C(C=C4)O)C,AOVQEAUIBICOLQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
15270795,"N1	N10-Bis(p-coumaroyl)spermidine",OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O,QYBCBMVQSCJMSA-VOMDNODZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
15340661,Artonin K,OtherMutliCpd,Compound,CC1(C2CC3=C(C4=C2C(=C(C=C4O)O)O1)OC5=CC(=CC(=C5C3=O)O)OC)C,NMKFZSNRHNHWLX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
15380912,Kanzonol W,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C(=C3)C4=C(C=C(C=C4)O)O)C,VFIXONREXXFDQV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Pyranoisoflavonoids,Pyranoisoflavonoids,none,none,none,none,none,none
15394712,"1-(1	4-Dihydroxybutyl)-beta-carboline",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(CCCO)O,SPYBYBYFMPTBMD-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
15394713,"1-(1	3	4-Trihydroxybutyl)-beta-carboline",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(CC(CO)O)O,YPOORAFYDFLOBZ-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
15413154,"(+)-6	8-Di-C-methylpinocembrin 5-methyl ether",OtherMutliCpd,Compound,CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)C)O,QKZDDOUPWXQRIK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,5-O-methylated flavonoids,none,none,none,none,none,none
15503524,Lentialexin,OtherMutliCpd,Compound,C=CC#CC#CCCO,AGWFAJXETXIOEE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
15558051,WLN: R1U1VO1R,OtherMutliCpd,Compound,C1=CC=C(C=C1)COC(=O)/C=C\C2=CC=CC=C2,NGHOLYJTSCBCGC-QXMHVHEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
15558301,Acoric acid,OtherMutliCpd,Compound,CC1CCC(CC1=O)(C(C)CC(=O)O)C(=O)C(C)C,ZIOCYJNRYIRTQD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
15558419,N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC=CC=C2)O,QRFDENJATPJOKG-KPKJPENVSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid amides,Cinnamic acid amides,none,none,none,none,none,none
15558498,AFLATOXIN M1,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O,MJBWDEQAUQTVKK-IAGOWNOFSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,Aflatoxins,Difurocoumarocyclopentenones,none,none,none,none
15559043,Diosbulbin B,OtherMutliCpd,Compound,CC12CC(OC13CC(C4C2CC5CC4C(=O)O5)OC3=O)C6=COC=C6,QEANLIISUSNNDX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
15559045,"3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2	13-dioxatetracyclo[10.2.1.0;{1	5}.0;{6	11}]pentadecane-10-carboxylic acid",OtherMutliCpd,Compound,CC12CC(OC13CC(C4C2CC(CC4C(=O)O)O)OC3=O)C5=COC=C5,UYALWPKCIMKALF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
15559187,Desglucocoroloside,OtherMutliCpd,Compound,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O,NQOMDNMTNVQXRR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Cardenolides and derivatives,Cardenolide glycosides and derivatives,none,none,none,none,none
15559396,Fucostanol,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,LGJMUZUPVCAVPU-KZXGMYDKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
15560248,SCHEMBL14281117,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC/C(=N\OS(=O)(=O)O)/SC2C(C(C(C(O2)CO)O)O)O,CKIJIGYDFNXSET-LFIBNONCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Glucosinolates,Alkylglucosinolates,none,none,none
15560539,Miliacin,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)OC)C)C)C)C)C,YZBNXQLCEJJXSC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
15560610,1-Stearoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O,VBICKXHEKHSIBG-FQEVSTJZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
15569776,(R)-beta-hydroxypalmitic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCC[C@H](CC(=O)O)O,CBWALJHXHCJYTE-OAHLLOKOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
15592253,UDP-D-galacturonate,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,HDYANYHVCAPMJV-GXNRKQDOSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
15592259,UDP-L-iduronate,OtherMutliCpd,Compound,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O)O)O,HDYANYHVCAPMJV-NTWGTYGRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
15593122,ent-Epicatechin-(4alpha->8)-ent-epicatechin 3'-gallate,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O,VLFKNLZNDSEVBZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
15596445,"(E	E)-Futoamide",OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2,MRUXVACSRPRMSN-KQQUZDAGSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
15599876,"2(1H)-Naphthalenone	 1	7-dihydroxy-1	6-dimethyl-4-(1-methylethyl)-",OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)C(=CC(=O)C2(C)O)C(C)C)O,JLCJSBOHWRDWQW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
15613266,Isopropyl beta-D-glucoside,OtherMutliCpd,Compound,CC(C)OC1C(C(C(C(O1)CO)O)O)O,UOEFDXYUEPHESS-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
15624170,Isotheaflavin 3'-gallate,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O,GPLOTACQBREROW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
15627934,7-Methoxy-2-oxo-2H-1-benzopyran-6-carboxylic acid,OtherMutliCpd,Compound,COC1=C(C=C2C=CC(=O)OC2=C1)C(=O)O,GQYZDAIERJIQDI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
15631736,CA000809,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O,RPYRMTHVSUWHSV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Diterpene glycosides,Steviol glycosides,none,none,none,none,none
15658905,Hericenone C,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CC(=O)C=C(C)C)OC,OGYBKWUOLWCQDS-VFCFBJKWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
15664012,L-Pyridosine,OtherMutliCpd,Compound,CC1=CC(=O)C(=CN1CCCCC(C(=O)O)N)O,HNGPZFLHRXCYGZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
15706076,UNII-Y20AM65I7W,OtherMutliCpd,Compound,C[C@@H]1C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C)O,ZWQUPIDNCOVROC-HEEAJRSSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
15715157,8-Demethyleucalyptin,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)OC)OC,QPWOSZAYIILLKU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
15725888,Artomunoxanthentrione,OtherMutliCpd,Compound,CC(=C)C1=C2C(=C3C(=C1)C(=O)C4=C(C=C5C(=C4O3)C=CC(O5)(C)C)O)C(=O)C=C(C2=O)OC,HYOUKKTWDGSFHB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
15743318,furfuryl propyl disulfide,OtherMutliCpd,Compound,CCCSSCC1=CC=CO1,YCXWJNAAXGVFED-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
15747330,MYRIGALONE E,OtherMutliCpd,Compound,CC1=C(C=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)OC,ACLIVQJKNNTVHO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
15765124,C-Veratroylglycol,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(=O)C(CO)O)O,UTXNRISXYKZJTH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
15767846,7-Hydroxyheptaphylline,OtherMutliCpd,Compound,CC(=CCC1=C2C(=CC(=C1O)C=O)C3=C(N2)C=C(C=C3)O)C,NRWURNOYKGONNZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
15800938,SCHEMBL8178106,OtherMutliCpd,Compound,C1=CN(C=C1)CCCCC(C(=O)O)N,KVCPIDDKLUDCQJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
15818598,Glyurallin A,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1OC)C3=C(CO2)C4=C(O3)C=C(C=C4)O)O)C,AEAIWNGAMDGGNB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
15818599,Glyurallin B,OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)O)O)C,DPLWUTYEBRKBLI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
15820851,SCHEMBL8038671,OtherMutliCpd,Compound,CC(C(=O)O)NC1=NC(=O)CN1C,SKIVBBIKOOPRPR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
15825502,"3-Ethyl-5-methyl-1	2-cyclopentanedione",OtherMutliCpd,Compound,CCC1CC(C(=O)C1=O)C,CMIUAOYKUMNWLW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
15847402,214218-63-0,OtherMutliCpd,Compound,CC(=O)C1=CC(=O)CC(N1)CO,SIWHSHNFBDSUFB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Hydropyridines,Tetrahydropyridines,none,none,none,none,none,none
15887183,SCHEMBL4779936,OtherMutliCpd,Compound,CC1=C(C2=C(CCC(O2)(C)CCC(=O)O)C=C1)C,WTGHQIKMADLFAH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
15908632,"2	2-dihydroperoxypropane",OtherMutliCpd,Compound,CC(C)(OO)OO,XJHMOGCOFPLTNG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organic hydroperoxides,none,Organic hydroperoxides,none,none,none,none,none,none
15927667,"2-(hydroxymethyl)butane-1	2	3	4-tetrol",OtherMutliCpd,Compound,C(C(C(CO)(CO)O)O)O,SDXWEZQDLHNYFR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
15934091,6''-O-MALONYLGENISTIN,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O,FRAUJUKWSKMNJY-RSEYPYQYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
15940724,38482-81-4,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,JIVINIISUDEORF-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
15942872,"3a	7a	12a-Trihydroxy-5b-cholestanoyl-CoA",OtherMutliCpd,Compound,C[C@H](CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C,MNYDLIUNNOCPHG-TUTZYBGQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
15945058,Apterin,OtherMutliCpd,Compound,CC(C)([C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O,ALEQYOXVXJKFOM-MKKAWSSWSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
15945690,Anabsin,OtherMutliCpd,Compound,C[C@H]1C2CC[C@]3(C4C5[C@H]([C@](C4([C@H]2OC1=O)C6C5C7C(=C6C)C8[C@@H](CC[C@]7(C)O)C(C(=O)O8)C)(O3)C)O)C,OVZIMEDUADJHPN-CGGVHNBMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,none,none,none,none,none,none
15948324,UNII-2V4C551WM6,OtherMutliCpd,Compound,C/C=C(/C=O)\[C@H](CC=O)CC(=O)OCCC1=CC=C(C=C1)O,VPOVFCBNUOUZGG-LZHSFKQYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
15958839,SCHEMBL2629187,OtherMutliCpd,Compound,C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4N5C=CC(=N5)N)F,GCZUYHMLYFVJHN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrazolylpyridines,Pyrazolylpyridines,none,none,none,none,none,none
15987477,"N-[4-(2-cyano-2	2-dimethylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1	1	1-trifluoro-2-hydroxypropan-2-yl]benzamide",OtherMutliCpd,Compound,C[C@](C1=CC=C(C=C1)C(=O)N(C2CCC(CC2)CC(C)(C)C#N)C3CC3)(C(F)(F)F)O,PZBZXZHGYMAIMC-RNNUUBKPSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzamides,none,none,none,none,none,none
16019958,imidazoleacetic acid ribotide,OtherMutliCpd,Compound,C1=C(N=CN1C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CC(=O)O,RDQUQBHPMYFYMX-XIWVQZPPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
16019966,trans-3-decenoyl-CoA,OtherMutliCpd,Compound,CCCCCC/C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,CQGVNMQHZQJNII-ZJZQAHHTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,3-enoyl CoAs,none,none,none,none,none
16019980,1-Arachidonoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O,DCPCOKIYJYGMDN-HUDVFFLJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
16038493,Guanosine hexaphosphate adenosine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O,QESDWYZADJGZRW-INFSMZHSSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
16041826,Isopiperolein B,OtherMutliCpd,Compound,C1CCN(C1)C(=O)CCCCCCC/C=C/C2=CC3=C(C=C2)OCO3,HRMXETZEKQCWBC-UXBLZVDNSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
16058115,Ceanothine E,OtherMutliCpd,Compound,CC(C)CC1C(=O)N/C=C\C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C4=CC=CC=C4,KCFAADIKGBVBFW-VXPUYCOJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
16058117,"N-{1-[10-(butan-2-yl)-16-methoxy-8	11-dioxo-2-oxa-6	9	12-triazatricyclo[13.3.1.0;{3	7}]nonadeca-1(18)	13	15(19)	16-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanamide",OtherMutliCpd,Compound,CCC(C)C1C(=O)N/C=C\C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N(C)C)OC,YTPWZBXRZAQHQB-VLGSPTGOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
16058309,Nonate,OtherMutliCpd,Compound,CCCCC[C@@H](CC(=O)O)C(=O)O,FNZSVEHJZREFPF-ZETCQYMHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
16058483,Chondrillasterol,OtherMutliCpd,Compound,CC[C@@H](/C=C/[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,JZVFJDZBLUFKCA-YWVVXJOTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
16061042,8-HYDROXYHEXADECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCC(CCCCCCC(=O)O)O)CCCC(=O)O,GZQVGXLMHGPBET-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
16061066,"alpha-9	10-DiHODE",OtherMutliCpd,Compound,CC/C=C\C/C=C\CC(C(CCCCCCCC(=O)O)O)O,QRHSEDZBZMZPOA-ZJSQCTGTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
16061067,"alpha-12	13-DiHODE",OtherMutliCpd,Compound,CC/C=C\CC(C(C/C=C\CCCCCCCC(=O)O)O)O,RGRKFKRAFZJQMS-OOHFSOINSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
16061068,"alpha-15	16-DiHODE",OtherMutliCpd,Compound,CCC(C(C/C=C\C/C=C\CCCCCCCC(=O)O)O)O,LKLLJYJTYPVCID-OHPMOLHNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
16061119,"14	15-DiHETE",OtherMutliCpd,Compound,CC/C=C\CC(C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O,BLWCDFIELVFRJY-QXBXTPPVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,none,none,none,none,none,none
16061120,"17	18-DiHETE",OtherMutliCpd,Compound,CCC(C(C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O,XYDVGNAQQFWZEF-JPURVOHMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,none,none,none,none,none,none
16061151,Arachidoyl coenzyme A,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,JYLSVNBJLYCSSW-OPBWFHODSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
16061152,"5Z	8Z	11Z	14Z-eicosatetraenonyl-CoA",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,JDEPVTUUCBFJIW-BSQIERQBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
16061154,3Z-dodecenoyl-CoA,OtherMutliCpd,Compound,CCCCCCCC/C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,XEMIVMKTVGRFTD-BFJLDWRUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,3-enoyl CoAs,none,none,none,none,none
16061159,3S-hydroxy-decanoyl-CoA,OtherMutliCpd,Compound,CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,HIVSMYZAMUNFKZ-WQUYVQPTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
16061182,8(9)-EpETrE-EA,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CC1C(O1)C/C=C\CCCC(=O)NCCO,BXHPMUQFGGSDAK-TYAUOURKSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
16061183,11(12)-EpETrE-EA,OtherMutliCpd,Compound,CCCCC/C=C\CC1C(O1)C/C=C\C/C=C\CCCC(=O)NCCO,TYRRSRADDAROSO-KROJNAHFSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
16061195,Lutein F,OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C,KBPHJBAIARWVSC-WTAPCXIZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
16061332,CerP(d18:1/26:1(17Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O,GYHZLVGNXJLGPV-PLQASZCNSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
16061339,Cholesteryl behenate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,WBOQXYUYHINMOC-FTAWAYKBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
16061341,22:4 Cholesteryl ester,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,ITGTXSFLBABXQA-BMURBKCOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
16066851,Petasiphenone,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)OCC(=O)C2=CC(=C(C=C2)O)O)O)O,DPMVCMFEBYVTFB-QHHAFSJGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
16070004,avenic acid A,OtherMutliCpd,Compound,C(CNC(CCO)C(=O)O)C(C(=O)O)NCCC(C(=O)O)O,QUKMQOBHQMWLLR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
16070022,avenic acid B,OtherMutliCpd,Compound,C(CN[C@@H](CCO)C(=O)O)[C@@H](C(=O)O)O,YVTYLIZWVFUUMH-WDSKDSINSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Gamma amino acids and derivatives,none,none,none,none,none
16072386,Diosgenin bis-.alpha-L-rhamnopyranosyl(1-2 and 1-4)-.beta.-D-glucopyranoside,OtherMutliCpd,Compound,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1,VNONINPVFQTJOC-VMYAYSHCSA-N,none,none,none,none,none,none,none,none,none,none,none
16072922,Neodiospyrin,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O,LZAXNDGRDVWTFX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
16084218,Diclofenac Acyl Glucuronide,Drug,Compound,C1=CC=C(C(=C1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl,JXIKYYSIYCILNG-HBWRTXEVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
16085191,No_auto_id,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O,HLPYRSVVUHDPSQ-LFKMRFHZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
16116346,Galeon,OtherMutliCpd,Compound,COC1=C2C=CC(=C1)CCCCC(=O)CCC3=CC(=C(C=C3)O)O2,QUSSPXNPULRXKG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Cyclic diarylheptanoids,Meta--para-diphenylether diarylheptanoids,none,none,none,none,none,none
16119667,Dihydroferuloyltyramine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CCC(=O)NCCC2=CC=C(C=C2)O)O,XLIPDHTUSRZSKE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
16129616,Fortical,Drug,Compound,CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO,BBBFJLBPOGFECG-UHFFFAOYSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129617,Cortrosyn (TN),Drug,Compound,CC(C)[C@@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C(CO)N,ZOEFCCMDUURGSE-CQVUSSRSSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129623,[Epicatechin-(4beta->8)]5-epicatechin,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C5C(=CC(=C6[C@@H]7[C@H]([C@H](OC8=C(C(=CC(=C78)O)O)[C@@H]9[C@H]([C@H](OC1=C(C(=CC(=C91)O)O)[C@@H]1[C@H]([C@H](OC2=CC(=CC(=C12)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,UUOWTYGESRVWCF-WKWFDMPLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
16129665,Secrepan,Drug,Compound,CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N,KKNIUBFRGPFELP-UHFFFAOYSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129672,Velosiline HM,Drug,Compound,CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN,PBGKTOXHQIOBKM-FHFVDXKLSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129682,Forteo,Drug,Compound,CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N,OGBMKVWORPGQRR-UHFFFAOYSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129703,Desirudin,Drug,Compound,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)[C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C,XYWBJDRHGNULKG-OUMQNGNKSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129704,Bivalirudin,Drug,Compound,CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CC6=CC=CC=C6)N,OIRCOABEOLEUMC-GEJPAHFPSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16129720,Punicacortein C,OtherMutliCpd,Compound,C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O,FESAEKUFXJFTFG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16129741,CHEMBL592373,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C(C(=CC(=C56)O)O)[C@@H]7[C@H]([C@H](OC8=C(C(=CC(=C78)O)O)[C@@H]9[C@H]([C@H](OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,QRFZGLTZLZZHCM-NWYMYRDLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
16129875,Camelliatannin A,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,VFRPPNXPLILJQH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
16130064,Subtilin,OtherMutliCpd,Compound,CCC(C)C(C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CSC(C2C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CSC(C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N/C(=C/C)/C(=O)N4)CCC(=O)N)CC(C)C)C)NC(=O)C(C(C)C)NC(=O)C5CSC(C(C(=O)N6CCCC6C(=O)NCC(=O)N5)NC(=O)C7CSCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N7)CC(C)C)CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC8=CNC9=CC=CC=C98)N)C)C)C)C(=O)NC(C(=O)N1)CC(=O)N)C,WPLOVIFNBMNBPD-QYBHNYLKSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16130295,Iniprol,Drug,Compound,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)[C@@H](C)CC,ZPNFWUPYTFPOJU-LPYSRVMUSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16130317,Camelliin B,OtherMutliCpd,Compound,C1C(C2C(C(OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C(C6OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C3=CC(=C(C(=C3OC3=C(C(=C(C(=C3)C(=O)O1)C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O,WASNQMYMYFXZHF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16130899,Cinnamtannin A2,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C(C(=CC(=C56)O)O)[C@@H]7[C@H]([C@H](OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,QFLMUASKTWGRQE-JNIIMKSASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
16130957,Ganirelix,Drug,Compound,CCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC,GJNXBNATEDXMAK-PFLSVRRQSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16130973,Cinnamtannin B2,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@@H]6[C@H]([C@](OC5=CC(=C34)O)(OC7=C6C(=CC(=C7[C@@H]8[C@H]([C@H](OC9=CC(=CC(=C89)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,QRQAODSINXAOBF-UKTWWWBFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
16131089,Vescalagin carboxylic acid,OtherMutliCpd,Compound,C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C(=O)O)OC(=O)C8=CC(=C(C(=C8C9=CC(=C(C(=C9C(=O)O1)O)O)O)O)O)O,NSYONYJBVHXQQT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16131130,Pediocin ach,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC3C=NC=N3)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)OC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4C=NC=N4)N)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC7C=NC=N7)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CCCCN)N,FLTWKHKMXZLDNR-CVMNUACMSA-N,none,none,none,none,none,none,none,none,none,none,none
16131215,Abarelix,Drug,Compound,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C,AIWRTTMUVOZGPW-HSPKUQOVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
16131433,Camelliatannin G,OtherMutliCpd,Compound,C1C(C(OC2=C3C4C5C(OC(=O)C6=CC(=C(C(=C6C7=C(C4(C(=O)OC7(C(=O)O)O)OC3=CC(=C21)O)C(=O)O5)O)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,MMIYRWRTSJNIBU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
16132254,Camelliatannin F,OtherMutliCpd,Compound,C1C(C(OC2=C3C4C5C(OC(=O)C6=CC(=C(C(=C6C7=C(C(=O)C4(C7C(=O)O5)OC3=CC(=C21)O)O)O)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,QVQMITBCNKWSNM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
16132265,corticotropin,Drug,Compound,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N,IDLFZVILOHSSID-OVLDLUHVSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16132283,Glucagonum,Drug,Compound,C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CN=CN7)N)O,MASNOZXLGMXCHN-ZLPAWPGGSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16132344,Ovine CRF,Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N,QEEJLLNYQOBRRM-KSHGRFHLSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16132408,Acutissimin A,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@H]4[C@@H]5[C@H]6[C@@H](COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,DRHVFLXLYQESEQ-DHGKJAGISA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
16132415,CHEMBL407914,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C3[C@@H]4C5C6C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C7=C(C(=C(C(=C7O)O)O)C7=C(C(=O)C4(C7C(=O)O5)OC3=CC(=C21)O)O)C(=O)O6)O)O)O)C1=CC(=C(C=C1)O)O)O,GCVPUYDXNUQSNY-XJFXALPKSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Complex tannins,Complex tannins,none,none,none,none,none,none
16132418,Insulin aspart [USAN],Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=CC=C7)N)O,VOMXSOIBEJBQNF-UTTRGDHVSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16132438,Insulin lispro [USAN:BAN:INN],Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC8=CC=CC=C8)N)O,WNRQPCUGRUFHED-DETKDSODSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16132441,Refludan,Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N,OTQCKZUSUGYWBD-BRHMIFOHSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16132445,Camelliatannin H,OtherMutliCpd,Compound,C1C2C(C3C(COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC2O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C1=O)OC8=C(C(=C(C=C8C(=O)OC9C(C1C(COC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)OC9O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O,MSRCJTQIFIFKEZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16132446,Pramlintide acetate hydrate,Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)N,NRKVKVQDUCJPIZ-MKAGXXMWSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16133856,No_auto_id,OtherMutliCpd,Compound,C1=CC(=CC=C1[C@@H]2C(C3=C(O2)C=C(C=C3/C=C/C4=CC5=C(C=C4)OC(C5C6=CC(=CC7=C6C([C@H](O7)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O)C1=CC=C(C=C1)O)O)C1=CC(=CC(=C1)O)O)O,WZKKRZSJTLGPHH-CVBKXIOXSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
16133879,MolPort-023-220-253,OtherMutliCpd,Compound,CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(CSC(C(C(=O)NCC(=O)NC(C(=O)N1)C)NC(=O)C(CCCCN)NC(=O)C2CSC(C(C(=O)N3CCCC3C(=O)NCC(=O)N2)NC(=O)C4CSCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N4)C(C)CC)C(C)CC)NC(=O)/C(=C/C)/NC(=O)C(C(C)CC)N)C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC(=O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC7=CN=CN7)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)CC8=CN=CN8)C)CCSC,VOSQDGQTENUVIE-INNOLEBESA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16136245,Degarelix,Drug,Compound,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C,MEUCPCLKGZSHTA-XYAYPHGZSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16143525,No_auto_id,OtherMutliCpd,Compound,C/C=C\1/C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=S)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O,XLCGNZQPUQXSOY-ASKSIGGCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
16157882,AN-812,Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CN=CN9)N,HTQBXNHDCUEHJF-XWLPCZSASA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
16162334,Arecatannin A3,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,QRFZGLTZLZZHCM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
16181831,SANGUIIN H6,OtherMutliCpd,Compound,C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C6=C5C(=O)OC7C(COC(=O)C8=CC(=C(C(=C86)O)O)O)OC(C9C7OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O9)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O,FFZOOOCGCNFHAQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16191158,Ambcb11985656,OtherMutliCpd,Compound,CCC1=CN=C(C=C1)CNCC2=CC=C(C=C2)OCC(CN(C)CC3=CC=CC=C3)O,ODFHSTUCJXXLQJ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylmethylamines,Phenylmethylamines,none,none,none,none,none,none
16204499,65887-08-3,OtherMutliCpd,Compound,CSC/C(=C/C1=CC=CC=C1)/C=O,QJDHQEQDIWDMOT-YRNVUSSQSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
16204525,101396-15-0,OtherMutliCpd,Compound,CC(C)OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O,SKHXHUZZFVMERR-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
16204532,(Cyclohexylmethyl)pyrazine,OtherMutliCpd,Compound,C1CCC(CC1)CC2=NC=CN=C2,DGJZDAIWCSVZBI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrazines,Pyrazines,none,none,none,none,none,none
16204833,Eugeniflorin D1,OtherMutliCpd,Compound,C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5OC6=C(C(=C7C(=C6)C(=O)O[C@@H]8[C@@H](COC(=O)C9=CC(=C(C(=C97)O)O)O)OC([C@@H]([C@H]8OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2OC2=C(C(=C(C(=C2)C(=O)O1)C1=C(C(=C(C=C1C(=O)O3)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O,IVHVAYKUGPKWCF-SJBVNSEXSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16204834,Eugeniflorin D2,OtherMutliCpd,Compound,C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)O)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)O[C@@H]7[C@@H](COC(=O)C8=CC(=C(C(=C86)O)O)O)OC([C@@H]([C@H]7OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C2=CC(=O)C(C4C2OC2=C(O4)C(=C(C(=C2)C(=O)O1)C1=C(C(=C(C=C1C(=O)O3)O)O)O)O)(O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O,PNIVJUZYAHGKLM-XJFPMQJXSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16205756,93762-34-6,OtherMutliCpd,Compound,C/C=C/C(=O)OC(C)(C)CC1=CC=CC=C1,OKLPIYCKVVLHCP-XBXARRHUSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
16211032,DEAE-CELLULOSE,OtherMutliCpd,Compound,C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O,GUBGYTABKSRVRQ-WFVLMXAXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
16211403,ST51037632,OtherMutliCpd,Compound,CC1CCC(=O)C1=O.CC1=C(C(=O)CC1)O,WMMUOLWPQBGCOJ-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Cyclic ketones,none,none,none,none,none
16212424,6-Sialyl-N-acetyllactosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O,RPSBVJXBTXEJJG-RAMSCCQBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
16212907,Dihydrocinchonine,OtherMutliCpd,Compound,CC[C@H]1CN2CCC1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O,WFJNHVWTKZUUTR-FGVBSWQGSA-N,Organic compounds,Alkaloids and derivatives,Cinchona alkaloids,none,Cinchona alkaloids,none,none,none,none,none,none
16213476,3-Sialyl-N-acetyllactosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)NC(=O)C)CO)CO)O)O,HUNVSYPDCXFGLB-KROWHOKKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
16395893,STOCK1N-08566,OtherMutliCpd,Compound,C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34CO,YLTCTXBDDHSLCS-HRCCTRRKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
16399653,MLS001173547,OtherMutliCpd,Compound,C[C@]12CCC3[C@H](C1CCC2=O)CCC4=CC(=O)CC[C@]34C=O,XRCFMDPVHKVRDJ-NHMXRCTMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
16421927,STK620332,OtherMutliCpd,Compound,CC1=C2C(C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)N=C2ON1)C5=CC(=C(C=C5)O)O,DJYFTKQHVPFIRU-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
16494992,"2-Furanmethanol	 5-(1-pyrrolidinylmethyl)-",OtherMutliCpd,Compound,C1CCN(C1)CC2=CC=C(O2)CO,POLAFJCRVYXYDM-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
16663321,3-HYDROXYDODECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCC(=O)O)CCCC(CC(=O)O)O,FYVQCLGZFXHEGL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
16681728,p-Hpea-eda,OtherMutliCpd,Compound,C/C=C(/C=O)\C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O,VPOVFCBNUOUZGG-VVHNFQOZSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
16681750,MLS000877001,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O,HRYIDVZLDQBLFF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
16682731,Se-Adenosylselenohomocysteine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CCC(C(=O)O)N)O)O,UVSMMLABJBJNGH-WWJIDFMMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,none,5'-deoxyribonucleosides,none,none,none,none,none,none
16683004,FENBUTATIN OXIDE,OtherMutliCpd,Compound,CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6,HOXINJBQVZWYGZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
16722111,5-methyltetrahydropteroyltri-L-glutamate,OtherMutliCpd,Compound,CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,HVRNKDVLFAVCJF-VJANTYMQSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,none,none,none,none,none
16722112,tetrahydropteroyltri-L-glutamate,OtherMutliCpd,Compound,C1[C@@H](NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,RXWVHRYZTWZATH-XSLAGTTESA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,none,none,none,none,none
16724248,HMDB05799,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O,YYKZZPUWJLNPMU-POFBTZLFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
16728078,(+)-Gomisin M2,OtherMutliCpd,Compound,C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)O)OCO3,PDDXWOMYBJCSQB-NWDGAFQWSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
16734862,195863-84-4,OtherMutliCpd,Compound,CC1CCC(C(C1)OCC(C)(CO)O)C(C)C,XCNCWOPROFTLGU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Menthane monoterpenoids,none,none,none,none,none,none
16740686,104704-31-6,OtherMutliCpd,Compound,C1CC(=NC1)C2=CC=CO2,RSWIYWDWUHQXIZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
16744613,Isosojagol,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=C3C=CC(=C4)O)O)C,MQKLGUOASGICKG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
16745399,MLS000876803,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O,IQBMWEYFKNVACH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
16745401,"(3S	5R	6S	7E	9x)-7-Megastigmene-3	6	9-triol 9-glucoside",OtherMutliCpd,Compound,CC1CC(CC(C1(/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O,MRPDHXXPDCVBPQ-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
16747787,"1	26-Hexacosanediol",OtherMutliCpd,Compound,C(CCCCCCCCCCCCCO)CCCCCCCCCCCCO,IDELJCANVIPGPV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
16748209,"4-Oxopyrimidine	 29a",OtherMutliCpd,Compound,C1=CC2=C(C(=C1)OC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)NC(=O)C=C2,KZUFJUZSABLGKS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Phenylpyrimidines,none,none,none,none,none,none
16752601,Aspalathin,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C=C2O)O)C3C(C(C(C(O3)CO)O)O)O)O)O)O,VCPUQYKWJRESOC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
16755624,N-Acylsphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC=O)O,XSDVOEIEBUGRQX-RBUKOAKNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid amides,Secondary carboxylic acid amides,none,none,none,none,none
16760467,potassium gluconate,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[K+],HLCFGWHYROZGBI-JJKGCWMISA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
17389585,2-(5-methylfuran-2-yl)piperidine,OtherMutliCpd,Compound,CC1=CC=C(O1)C2CCCCN2,PAHYJZIMPANAIV-UHFFFAOYSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Aralkylamines,none,none,none,none,none,none
17408840,MolPort-004-601-088,OtherMutliCpd,Compound,CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4,SPYDWAZHZBSUHV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Acylaminobenzoic acid and derivatives,none,none,none,none,none,none
17756737,Monoglyceride,OtherMutliCpd,Compound,C(C(CO)OC=O)O,LDVVTQMJQSCDMK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
17766220,No_auto_id,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=CC(=CC(=C3N2)O)C(=O)O,HKOVAOLUBZZCGO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
17933559,Small bacteriocin,OtherMutliCpd,Compound,CCCCCC/C=C/CCCC(CC(=O)NC1CCOC1=O)O,GFSFGXWHLLUVRK-BQYQJAHWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
17937508,Margaroylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(=O)NCC(=O)O,AEKJBHKVBQSNGN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
17973666,"3-(acetyloxy)-4	6a	6b	8a	11	12	14b-heptamethyl-14-oxo-1	2	3	4	4a	5	6	6a	6b	7	8	8a	9	10	11	12	12a	14	14a	14b-icosahydropicene-4-carboxylic acid",OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C,HMMGKOVEOFBCAU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
17978147,Isopentyl beta-D-glucoside,OtherMutliCpd,Compound,CC(C)CCOC1C(C(C(C(O1)CO)O)O)O,PPOCTRFLRHRTTR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
18008143,"(6b	7b	13R)-6	7-Diacetoxy-8	14-labdadiene-13-ol",OtherMutliCpd,Compound,CC1=C(C2(CCCC(C2C(C1OC(=O)C)OC(=O)C)(C)C)C)CCC(C)(C=C)O,JVKGUKYXQMTNOK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
18371062,SCHEMBL7699836,OtherMutliCpd,Compound,CCCCCCCC1CC(C(=O)O1)C(=O)O,FCCIDBCBPCNABK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
18392195,Ethyl glucuronide,OtherMutliCpd,Compound,CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,IWJBVMJWSPZNJH-UQGZVRACSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
18406287,Isopulegone caffeate,OtherMutliCpd,Compound,CC(=C)C1CCC(CC1)COC(=O)/C=C/C2=CC(=C(C=C2)O)O,SSVXLIRLGPMWSL-UXBLZVDNSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
18459409,15-Nonacosanol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O,KENDAPSPCLAHAG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
18526330,Glycyrrhetin,OtherMutliCpd,Compound,C[C@]12CC[C@](CC1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,MPDGHEJMBKOTSU-WFJWTYAKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
18601915,Inosine 2'-phosphate,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O,PGZVUSPTYXQADT-KQYNXXCUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
18603089,SCHEMBL10893167,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COCCCCCCCCCCCCCCCC,ALBMTLREXAADKV-BHVANESWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,1-alkyl--2-acylglycerols,none,none,none,none,none,none
18605408,SCHEMBL10618761,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,FFXFXJGKVGQLGE-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
18625123,Hesperetin 5-O-glucoside,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O)O,QSLBWGKNSBMTJL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
18631368,1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,BYSIMVBIJVBVPA-RRHRGVEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
18631369,PC(24:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,VNVBJTOZNQTTCV-YACUFSJGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
18642216,DG(15:0/15:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC,FWYXULJVROPNGE-HKBQPEDESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
18665256,5a-Dihydrotestosterone sulfate,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)O)C,KYVPWJSGFKNNLD-ABEVXSGRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
18684078,Oleacein,OtherMutliCpd,Compound,C/C=C(\C=O)/C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O,XLPXUPOZUYGVPD-XNJYKOPJSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
18684079,SCHEMBL14079292,OtherMutliCpd,Compound,CC1C(C(C(=CO1)C(=O)OC)CC(=O)OCCC2=CC(=C(C=C2)O)O)C=O,DEBZOPZQKONWTK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Tyrosols and derivatives,Tyrosols and derivatives,none,none,none,none,none,none
18772438,SCHEMBL65332,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CC1=CC(=C(C=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O,LWMLXPWIAUSXBM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
18877593,6-Succinoaminopurine,OtherMutliCpd,Compound,C1=NC2=C(N1)C(=NC=N2)NC(=O)CCC(=O)O,PQBHLXAMWLYHTB-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purines and purine derivatives,none,none,none,none,none,none
19093029,Citibrasine,OtherMutliCpd,Compound,CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC,QYPQTPVQPNLXHV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
19365658,beta-Aspartylphenylalanine,OtherMutliCpd,Compound,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC(C(=O)O)N,KDGAYJIGGCDHPH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
19421331,"Glycerol 1	2-dioctacosanoate",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,YFICNBBIYKTBLK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
19764281,No_auto_id,OtherMutliCpd,Compound,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Na+],JHJUUEHSAZXEEO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Benzenesulfonic acids and derivatives,none,none,none,none,none,none
19776197,Ethyl 2-furanyl diketone,OtherMutliCpd,Compound,CCC(=O)C(=O)C1=CC=CO1,IWMXBRWYPMCNQM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,none,none,none,none,none
19832784,SCHEMBL873183,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)O,YSFOANWTNKLWRK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
19857768,alpha-Methylphenethyl butyrate,OtherMutliCpd,Compound,CCCC(=O)OC(C)CC1=CC=CC=C1,ANJRGSHRMWLHFZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
19900903,"1-PHENYLHEXADECANE-1	3-DIONE",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,PYPCDBLMVZWDGV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
19913541,4-[(3-aminopropyl)amino]butanal,OtherMutliCpd,Compound,C(CC=O)CNCCCN,JNZUMEMWAPJNLC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
19957309,2-methylthiolan-3-ol,OtherMutliCpd,Compound,CC1C(CCS1)O,HAUQWGSXLBQNPN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Thiolanes,none,Thiolanes,none,none,none,none,none,none
20055255,UNII-DR3Y9P779Q,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,YXHFXGHAELQJGK-PGPONNFDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
20055539,"Bicyclo[3.1.0]hexan-2-ol	 5-(1	5-dimethyl-4-hexenyl)-2-methyl-",OtherMutliCpd,Compound,CC(CCC=C(C)C)C12CCC(C1C2)(C)O,IRDFGGRWKUKANK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
20111686,SCHEMBL6525224,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O,ADSYMQORONDIDD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
20111767,Glycerol 1-propanoate diacetate,OtherMutliCpd,Compound,CCC(=O)OCC(COC(=O)C)OC(=O)C,LVONJPHZHFUJEU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
20140672,SCHEMBL8185421,OtherMutliCpd,Compound,CC(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O,JQWABENXVMJJMW-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
20313888,"2	5-dimethyl-3-(methyldithio)furan",OtherMutliCpd,Compound,CC1=CC(=C(O1)C)SSC,ZZXDUGZYDILQMO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
20333861,"3(2H)-Furanone	 5-ethyl-4-hydroxy-",OtherMutliCpd,Compound,CCC1=C(C(=O)CO1)O,GYLJADLTHUFDRR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Dihydrofurans,Furanones,Furanones,none,none,none,none,none,none
20348793,7C-aglycone,OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(/C)\CCC(=O)O,BCNIZSHMXASUGF-XFFZJAGNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin K compounds,none,none,none,none,none,none
20447657,UNII-KKY2GVM6X4,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1)C(C)C)O)C(C)C,LQCZIRGCOVVBOQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
20472052,3-(2-hydroxy-4-methylphenyl)butan-2-one,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(C)C(=O)C)O,YWKYLGVKGIAHDU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
20601635,6'-Hydroxy-O-desmethylangolensin,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2O)O)O,IEFUAUZFJJOQMC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Alpha-methyldeoxybenzoin flavonoids,none,Alpha-methyldeoxybenzoin flavonoids,none,none,none,none,none,none
20705014,4-Acetyl-2-methylpyridine,OtherMutliCpd,Compound,CC1=NC=CC(=C1)C(=O)C,NIGBUKPEJHINOG-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
20754131,SCHEMBL14261500,OtherMutliCpd,Compound,CCCCCCCCCCC1=CC=C(C=C1)C(C2=CC=CC=C2C3=CC4=C(C=C3)C(=C5C=C(C=CC5=C4C6=CC=C(C=C6)OCCCCCCCC)C7=CC=CC=C7C(C8=CC=C(C=C8)CCCCCCCCCC)O)C9=CC=C(C=C9)OCCCCCCCC)O,RQROZYRNKPVQTQ-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Arylnaphthalene lignans,none,Arylnaphthalene lignans,none,none,none,none,none,none
20780298,Quasiprotopanaxatriol,OtherMutliCpd,Compound,CC(=CC/C=C(\C)/C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)C,JKPOYAJYRYOGBN-YBFXNURJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
20795042,"2	4	6-Octatriynoic acid",OtherMutliCpd,Compound,CC#CC#CC#CC(=O)O,GYUOOLGIYHUJRP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
20831169,UNII-OR1D854S9B,OtherMutliCpd,Compound,CCOC1=C(C=C(C=C1)/C=C\C)OC,AOSKXPFBGRLCEG-XQRVVYSFSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
20831779,"Propanethioic acid	 2-(1-oxopropoxy)-	 S-methyl ester",OtherMutliCpd,Compound,CCC(=O)OC(C)C(=O)SC,VCLWCQBHEOFVMO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Thiocarboxylic acids and derivatives,Thioesters,Thioesters,none,none,none,none,none,none
20831812,Isoeugenyl formate,OtherMutliCpd,Compound,C/C=C\C1=CC(=C(C=C1)OC=O)OC,QUUXIMKMPYPPDM-ARJAWSKDSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
20835508,Isoeugenol phenylacetate,OtherMutliCpd,Compound,C/C=C\C1=CC(=C(C=C1)OC(=O)CC2=CC=CC=C2)OC,YYLCMLYMJHKLEJ-CLTKARDFSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
20839146,"(9E	13Z	15E)-14	18-dihydroxy-12-oxooctadeca-9	13	15-trienoic acid",OtherMutliCpd,Compound,C(CCC/C=C/CC(=O)/C=C(/C=C/CCO)\O)CCCC(=O)O,LFTUCYCUYUJMJB-HNBCEUTISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
20841830,gamma-L-Glutamylputrescine,OtherMutliCpd,Compound,C(CCNC(=O)CC[C@@H](C(=O)O)N)CN,WKGTVHGVLRCTCF-ZETCQYMHSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
20842013,Taurochenodeoxycholate-7-sulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)C,WTKQKSAFONWCMW-BJLOMENOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
20845972,Pregnenolone 3-sulfate,OtherMutliCpd,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C,DIJBBUIOWGGQOP-OZIWPBGVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
20848956,3-HYDROXYTETRADECANEDIOIC ACID,OtherMutliCpd,Compound,C(CCCCCC(=O)O)CCCCC(CC(=O)O)O,CEDZIURHISELSQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
20848966,"2	3-dihydroxy-valeric acid",OtherMutliCpd,Compound,CCC(C(C(=O)O)O)O,CJXCLBPFKGZXJP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
20849086,Succinyladenosine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N[C@@H](CC(=O)O)C(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,VKGZCEJTCKHMRL-VWJPMABRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
20849151,N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine,OtherMutliCpd,Compound,CC(=O)N[C@@H](CSCCC(=O)C(=O)O)C(=O)O,AHFWWWFNCBRMIV-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
20849394,"1	3	12-Trihydroxycholan-24-oic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2CCC4[C@@]3(C(CC(C4)O)O)C)O)C,DAKYVYUAVGJDRK-JZBKOBKOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
20849429,Homoanserine,OtherMutliCpd,Compound,CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCCN,HXBKNURIXGGFCX-VIFPVBQESA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
20978310,"1-Hydroxy-2-(3-methyl-2-butenyl)-3	6	7-trimethoxy-8-(2-hydroxy-3-methyl-3-butenyl)-9H-xanthene-9-one",OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC(C(=C)C)O)OC)C,IUZNOAOULJFDJI-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
20979874,"Benzyl 2	6-dihydroxybenzoate 2-glucoside",OtherMutliCpd,Compound,C1=CC=C(C=C1)COC(=O)C2=C(C=CC=C2OC3C(C(C(C(O3)CO)O)O)O)O,GTFARABJCNHOHO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
20979894,18-Dehydroursolic acid 3-arabinoside,OtherMutliCpd,Compound,CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2=C1C)C)C(=O)O,GCGPCEUHJCFZIV-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
20979907,Rumexoside,OtherMutliCpd,Compound,CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O,GPYNRGVKMWCYIE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
20979920,"(3b	9R)-5-Megastigmene-3	9-diol 9-[apiosyl-(1->6)-glucoside]",OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)CCC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O,KXAHRTBPIZOXEC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
21057652,"2''	6''-Di-O-acetylononin",OtherMutliCpd,Compound,CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC)OC(=O)C)O)O,WAYQNCRYBDCMOP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
21116917,"N-[(3a	5b	7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine",OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C,DKXXSIJHWWVNMO-XROMFQGDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
21124076,Desacetycefapirin,OtherMutliCpd,Compound,C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO,IOFHZPVEQXTSQW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Cephems,Cephalosporins,none,none,none,none,none
21124297,Armillaripin,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)OC2CC3(C2C(=CC4(C3CC(C4)(C)C)O)C=O)C)O)OC,BGKXQRPQNIXIMH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
21125002,Glycochenodeoxycholate-3-sulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C,DKXXSIJHWWVNMO-GYPHWSFCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
21125622,HMDB13220,OtherMutliCpd,Compound,C(CC(=O)O)C(C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O,GAQNUGISBQJMKO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
21125948,Tetrahydroxypentoxyline,OtherMutliCpd,Compound,C1C(NC(C2=C1C3=CC=CC=C3N2)C(C(C(C(CO)O)O)O)O)C(=O)O,LCHFAYIGHOVWSA-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
21126175,O-Ureido-L-homoserine,OtherMutliCpd,Compound,C(CONC(=O)N)C(C(=O)O)N,SFYVZOSIAIZWQU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
21126387,Armillarinin,OtherMutliCpd,Compound,CC1=C(C(=CC(=C1Cl)OC)O)C(=O)OC2CC3(C2(C(=CC4(C3CC(C4)(C)C)O)C=O)O)C,XOGUZUVXPLTDMB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
21126389,Armillarilin,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4(C3CC(C4)(C)C)O)C=O)O)C)O)OC,JGQMXVRWAOSIBE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
21145142,(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate,OtherMutliCpd,Compound,C([C@H](C(=O)C(=O)O)O)OP(=O)(O)O,MZJFVXDTNBHTKZ-UWTATZPHSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Short-chain keto acids and derivatives,Short-chain keto acids and derivatives,none,none,none,none,none,none
21146793,SCHEMBL1255358,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O,XGTBMCGGGJLOPS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
21146794,SCHEMBL1254634,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O)O,BXDRTHBTGNNTEW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
21158617,(Z)-Oct-6-enal,OtherMutliCpd,Compound,C/C=C\CCCCC=O,KVNBGNGISDIZRP-IHWYPQMZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
21159144,Eujambin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)OC(=O)C,PYGGSPJDJQBCNV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
21159149,"{6-[(2-{[5	7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4	5-dihydroxy-6-methyloxan-3-yl)oxy]-3	4	5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate",OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O,NACZCQPMPCWDEE-BJMVGYQFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
21159150,2''-O-Acetylrutin,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C)O)O)O)O)O,OTLZRRUHHNDQIU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
21159437,"(5Z)-OCT-5-ENE-1	3-DIOL",OtherMutliCpd,Compound,CC/C=C\CC(CCO)O,QTHIKVMVWXLPKQ-ARJAWSKDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
21201348,SCHEMBL1157964,OtherMutliCpd,Compound,CCCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N,MTFUIXBAXHURMH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
21225084,"(x)-1	2-Propanediol 1-O-b-D-glucopyranoside",OtherMutliCpd,Compound,CC(COC1C(C(C(C(O1)CO)O)O)O)O,AJLVEHFNMNRXNI-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
21252245,MFCD00064142,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C,RUDATBOHQWOJDD-BYRKYSOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252247,"16	17-Epiestriol",OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O,PROQIPRRNZUXQM-LMMHAMTPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
21252248,Alpha-Tetrasaccharide,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O,DLJLMAWPOOWMRF-BFJQYDNNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
21252249,"5b-Cholestane-3a	7a	12a	23R	25-pentol",OtherMutliCpd,Compound,C[C@H](C[C@H](CC(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,OXSBBBPDYVCAKC-DYGXNTOZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252250,"4E	15Z-Bilirubin IXa",OtherMutliCpd,Compound,CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C/4\C(=C(C(=O)N4)C=C)C,BPYKTIZUTYGOLE-KDUUSRDASA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Bilirubins,Bilirubins,none,none,none,none,none,none
21252251,"5-Androstene-3b	16b	17a-triol",OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@H]4O)O)C)O,GUGSXATYPSGVAY-CUZKMJQKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
21252252,"5-Androstene-3b	16a	17a-triol",OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@H]4O)O)C)O,GUGSXATYPSGVAY-LFJLJVMTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
21252253,SCHEMBL6387099,OtherMutliCpd,Compound,C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C,NHPWQASMMFUHIZ-OOOZRTEJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252254,"5a-Cholestane-3a	7a	12a	23	25-pentol",OtherMutliCpd,Compound,C[C@@H](CC(CC(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,OXSBBBPDYVCAKC-KHMINMIBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252258,Ursocholyltaurine,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,WBWWGRHZICKQGZ-TZLUGCQQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
21252259,Taurallocholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,WBWWGRHZICKQGZ-ZKUTWGMOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
21252264,Pentacarboxyl porphyrinogen III,OtherMutliCpd,Compound,CC1=C(C\2=NC1CC3=C(C(=C(N3)/C=C\4/C(=C(C(=N4)/C=C\5/C(=C(/C(=C2)/N5)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O,QDDLLFZOMVJQEQ-XJTMSCLRSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
21252268,"2	3-dimethyl-3-hydroxy-glutaric acid",OtherMutliCpd,Compound,CC(C(=O)O)C(C)(CC(=O)O)O,CCFYMOIEFAALDH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Hydroxy fatty acids,none,none,none,none,none,none
21252272,S-(3-oxo-3-carboxy-n-propyl)cysteine,OtherMutliCpd,Compound,C(CSCC(C(=O)O)N)C(=O)C(=O)O,MXVUEJUCBIAFCN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
21252274,Glycylprolylhydroxyproline,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)CN)C(=O)N2CCC([C@H]2C(=O)O)O,HVIBGVJOBJJPFB-OFQRNFBNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
21252275,Solerol,OtherMutliCpd,Compound,C1CC(=O)OCC(C1O)O,QFCPIZSGDXQFDK-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,none,Lactones,none,none,none,none,none,none
21252277,"7alpha	12alpha-Dihydroxy-cholestene-3-one",OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(C=CC(=O)C4)C)O)O)C,VJGNBLOGSXHTLR-JFXJTJEYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
21252278,"27-Nor-5b-cholestane-3a	7a	12a	24	25-pentol",OtherMutliCpd,Compound,C[C@H](CCC(C(C)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,UBCPEZWGUOSYHO-JAPSQKQGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252281,5-cis-8-cis-Tetradecadienoyl-CoA,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MJBZUCVXTFUVFY-MURFETPASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
21252282,"2-TRANS	4-TRANS-OCTADIENOYL-COA",OtherMutliCpd,Compound,CCC/C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,HOQIPZYVEOMJGX-LEIHBCTOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
21252287,S-Methylmalonyl-CoA,OtherMutliCpd,Compound,C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OCC1[C@H]([C@H](C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MZFOKIKEPGUZEN-JDVCRUKVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
21252299,"(3a	5b	7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C,GDNGOAUIUTXUES-RWDHRDFGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
21252308,Chenodeoxycholate 7-monosulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)C,DPVCTIYTPXYDMQ-HEGLNSLBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252309,Cholic acid glucuronide,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C,RBLDVEUUCHVWMW-SXYQVCRBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
21252312,Chenodeoxycholic acid 3-sulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C,WHMOBEGYTDWMIG-BSWAIDMHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252317,HMDB02640,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)O)C,BJPPZTDOLXZUSK-NLKBZSSJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
21252318,Ursodeoxycholic acid 3-sulfate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)O)C,WHMOBEGYTDWMIG-ROKSHQGPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
21252319,"N-[(3a	5b	7a	12a)-3	7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine",OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)OS(=O)(=O)O)C,JZLKXIMBAHDSBJ-NLKBZSSJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
21257161,D-N-(Carboxyacetyl)alanine,OtherMutliCpd,Compound,CC(C(=O)O)NC(=O)CC(=O)O,AZKKNWAHCAZDCU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
21308787,"1	2-Dibehenoyl-L-lecithin",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,HRTBOPUWPUXROO-VCZQVZGSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
21338870,(2E)-2-(methoxyimino)-N-methyl-2-{2-[(1E)-({1-[3-(trifluoromethyl)phenyl]ethoxy}imino)methyl]phenyl}acetamide,OtherMutliCpd,Compound,CC(C1=CC(=CC=C1)C(F)(F)F)O/N=C/C2=CC=CC=C2/C(=N\OC)/C(=O)NC,PQHXFGUTAAIHOC-XZZSYSLUSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Trifluoromethylbenzenes,Trifluoromethylbenzenes,none,none,none,none,none,none
21348143,Morellin,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C4=CC5CC6C4(O2)C(C5=O)(OC6(C)C)C/C=C(/C)\C=O)C,COQAPWLZSHQTKA-ZDLGFXPLSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
21445006,2-Docosanamidoacetic acid,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O,YQPHTLSGFSVOOM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
21578749,(+-)-Enokipodin A,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1)OC3(CCC2(C3(C)C)C)O)O,KANVQRLDTGOSBL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
21579161,MAB3,OtherMutliCpd,Compound,CCC(C)C(=O)C1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(=O)C=C2C4=CC=CC=C4)O,AVIZABGQXBMRCJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
21580213,Piperolein B,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3,FAXXHNWVMKTOFF-UXBLZVDNSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
21582559,Isomelitric acid A,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O)O)O,HFTLCJIFEZUOCR-JKXXRSRDSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpyruvic acid derivatives,Phenylpyruvic acid derivatives,none,none,none,none,none,none
21585658,DAPTOMYCIN,Drug,Compound,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,DOAKLVKFURWEDJ-QCMAZARJSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,none,none,none,none,none,none
21586648,Gravacridonetriol,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)CC(O4)C(CO)(CO)O)O,GJDBWKOONRHBIM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Benzoquinolines,Acridines,Acridones,none,none,none,none,none
21588200,"7	7'-Dihydroxy-6	8'-bicoumarin",OtherMutliCpd,Compound,C1=CC(=C(C2=C1C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)O)O,GGNRJMYAXINNLX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
21590181,"[3	3'-Bi-1H-indole]-5	5'	6	6'-tetrol",OtherMutliCpd,Compound,C1=C2C(=CC(=C1O)O)NC=C2C3=CNC4=CC(=C(C=C43)O)O,UHYVKNUCMCSKMR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Hydroxyindoles,Hydroxyindoles,none,none,none,none,none,none
21591148,Isoangustone A,OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)O)O)O)C,QNLGNISMYMFVHP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
21591149,Licoriphenone,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C(C=C1OC)O)CC(=O)C2=C(C=C(C=C2)O)O)OC)C,LXLBPEZCZLGOGJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
21591195,Albanin D,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O)/C)C,KDUZVQDAWGTXTF-FRKPEAEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
21591197,Albanin E,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=C(C=C(C=C3)O)O)O)/C)C,CNACUOPDTBOMCZ-VIZOYTHASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,6-prenylated flavones,none,none,none,none,none,none
21592420,CYCLOMAMMEISIN,OtherMutliCpd,Compound,CC(C)CC(=O)C1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(=O)C=C2C4=CC=CC=C4)O,PTQKDRQFGLKODH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
21593830,"3	5-dioxa-11-azahexacyclo[9.9.2.0;{2	6}.0;{8	21}.0;{14	22}.0;{15	20}]docosa-1	6	8(21)	14(22)	15	17	19-heptaene-12	13-dione",OtherMutliCpd,Compound,C1CN2C3=C(C4=CC=CC=C4C5=C3C1=CC6=C5OCO6)C(=O)C2=O,FMLHJJVSHOCVAU-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Aporphines,none,Aporphines,none,none,none,none,none,none
21593928,4'-Demethylnobiletin,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O,NHMZUDOXUOAEOH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
21594268,Peonidin 3-(2-(6-(E)-caffeoyl-beta-D-glucosyl)-beta-D-glucoside) 5-beta-D-glucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC(=C(C=C7)O)O)O)O)O)O,HFNKXOBZVJNMRG-FRWPPZSRSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
21594897,Mulberrofuran M,OtherMutliCpd,Compound,CC12CC(C3=C(O1)C=C(C=C3)O)C4=C(C2=O)C5=C(O4)C=C(C=C5OC(=O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O,UCGIUWUATGREEP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
21596130,steppogenin,OtherMutliCpd,Compound,C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O,QBLQLKNOKUHRCH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,none,none,none,none,none,none
21602037,63898-24-8,OtherMutliCpd,Compound,CC/C=C\C1=CC2=CC=CC=C2C(=O)O1,DHKBMMCQVXFEJY-CLTKARDFSA-N,Organic compounds,Phenylpropanoids and polyketides,Isocoumarins and derivatives,none,Isocoumarins and derivatives,none,none,none,none,none,none
21603505,Rotundine B,OtherMutliCpd,Compound,CC1=NC=CC2=C1CC(C2(C)C)CCC(C)O,IMDXDPUTIISQIM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Methylpyridines,Methylpyridines,none,none,none,none,none,none
21604000,Luteolinidin 3-O-glucoside,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,RXQNESSHTIRLBK-YMQHIKHWSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
21627906,"5-Hydroxy-3-(4-hydroxybenzyl)-7	8-dimethoxy-4-chromanone",OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1)O)C(=O)C(CO2)CC3=CC=C(C=C3)O)OC,GMCVGMAGOGOINY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
21627907,"5	8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate",OtherMutliCpd,Compound,CC(=O)OC1=C(C=C(C2=C1OCC(C2=O)CC3=CC=C(C=C3)O)O)OC,NXGGYXKVAVMQLL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
21629801,Epigallocatechin 3-O-cinnamate,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)/C=C/C4=CC=CC=C4,GQGIIUWXMCBYIJ-UMMIVNDFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
21630871,"3-Ethenyl-2	5-dimethyl-4-oxohex-5-en-2-yl acetate",OtherMutliCpd,Compound,CC(=C)C(=O)C(C=C)C(C)(C)OC(=O)C,VPMVJFOMTNSSGR-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alpha--beta-unsaturated carbonyl compounds,Alpha--beta-unsaturated ketones,Alpha-branched alpha--beta-unsaturated ketones,none,none,none,none
21636071,Procyanidin B3 7-glucoside,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O,JQKHCULJNVYRGT-XOLODHEFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
21636072,8-Glucopyranosylprocyanidin B1,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O,JBDZOCOBUGXPJW-DFVINFJYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
21636073,6-Glucopyranosylprocyanidin B1,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=C(C(=C34)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O,VRCSTDIDMJHJBX-ZUVQFHENSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
21637213,"4	2'	4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2''	3'':3	2]dihydrochalcone",OtherMutliCpd,Compound,CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)CCC(=O)C3=C(C=C(C=C3)O)O)C)C,NZEMOONSVTXJCP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxy-dihydrochalcones,none,none,none,none,none,none
21637579,8-Glucopyranosylprocyanidin B2,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O,JBDZOCOBUGXPJW-LYGYLKCLSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
21637794,5-Deoxymyricanone,OtherMutliCpd,Compound,COC1=C(C2=CC(=C1)CCCCC(=O)CCC3=CC2=C(C=C3)O)OC,UCIYWYZLILBGOL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Cyclic diarylheptanoids,Meta--meta-bridged biphenyls,none,none,none,none,none,none
21668703,(S)-Verimol F,OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)O,NHUSVJTYMHDUAP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Diphenylmethanes,Diphenylmethanes,none,none,none,none,none,none
21668705,Caffeic acid 4-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O)O)OS(=O)(=O)O,SNVAIAITQIIEMQ-DUXPYHPUSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
21672078,SCHEMBL2045627,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C3CCC(OC3=C1O)(C)C)C(=O)C4=C(C5=C(C=C4O2)OC(C=C5)(C)C)O)C,CTTYZRNOKDZJRY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
21672568,"5	7-dihydroxy-3-{[(2S	3R	4S	5S)-3	4	5-trihydroxyoxan-2-yl]oxy}-2-(3	4	5-trihydroxyphenyl)-4H-chromen-4-one",OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O,SBEOEJNITMVWLK-KJCLSZHRSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
21674154,Pinotin A,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O,RFTHDRVOYDHSOC-BGXVWEPQSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
21676162,Quercetin 3'-O-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OS(=O)(=O)O)O,OSCLBBUATYLBQA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
21676257,"3-(3	4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone",OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)OCC(C2=O)CC3=CC(=C(C=C3)O)O,MEVZQUMOUGNZRF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
21676258,7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)OC)O)O,DQWZEKHEHONAKP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Homoisoflavonoids,Homoisoflavans,Homoisoflavanones,none,none,none,none,none,none
21676261,Muscomosin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)CC23COC4=CC(=CC(=C4C3=O)O)O)O,UVAGPWQTXXDQIY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
21676269,Comosin,OtherMutliCpd,Compound,CC(=O)OCC1(COC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)OC)O,IOLHWMMZYCBLRD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
21677754,SCHEMBL17963708,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC(C(=O)O)O)O,UIQJPTIJLALAGB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Phenylpropanoic acids,none,Phenylpropanoic acids,none,none,none,none,none,none
21678648,"2H-1-Benzopyran-2-one	 3-(1	1-dimethyl-2-propenyl)-7	8-dimethoxy-",OtherMutliCpd,Compound,CC(C)(C=C)C1=CC2=C(C(=C(C=C2)OC)OC)OC1=O,YSFZHXKUZLVBRX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,none,Coumarins and derivatives,none,none,none,none,none,none
21721909,Rubraflavone A,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=C(C=C(C=C3)O)O)/C)C,VEQHJLTWOODSMA-FRKPEAEDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
21722022,Spinatoside,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)OC)O,YIDAQAJEKNRLJS-QJAHINBCSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,none,none,none,none,none
21722026,Jaceidin 4'-glucuronide,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,IXUDTZUOBGRRSD-NKUGBYDDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,none,none,none,none,none
21724963,Dichloroisoeverninic acid,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1Cl)O)Cl)OC)C(=O)O,OWBYFBKXWVZEQW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,O-methoxybenzoic acids and derivatives,none,none,none,none,none
21763168,"9H-Pyrido[3	4-b]indole	 1-(2-pyridinyl)-",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=CC=N4,MIJJBECNVSJLFN-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
21767560,6-Methyl-6-(5-methyl-2-furanyl)-3-heptene-2-one,OtherMutliCpd,Compound,CC1=CC=C(O1)C(C)(C)C/C=C/C(=O)C,FBIJIFHUILHPFS-AATRIKPKSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
21769059,"(3R	3'R	9-cis)-b	b-Carotene-3	3'-diol",OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C2=C(C[C@H](CC2(C)C)O)C)/C)/C,JKQXZKUSFCKOGQ-IOAZSAMTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
21772452,UNII-KRI00MMQ7Y,OtherMutliCpd,Compound,CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C,JKQXZKUSFCKOGQ-ANDPMPNWSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
21775588,"ergosta-5	7	22-trien-3-ol",OtherMutliCpd,Compound,C[C@H](/C=C/[C@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,DNVPQKQSNYMLRS-KQYMERMZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
21873022,SCHEMBL19285,OtherMutliCpd,Compound,CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C.CC1=CC(=C(C=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)OC,WXUNXXKSYBUHMK-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,none,none,none,none,none,none
21909602,"3	4'	5-trihydroxybiphenyl",OtherMutliCpd,Compound,C1=CC(=CC=C1C2=CC(=CC(=C2)O)O)O,HSZOQEGJICWJDP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
21918450,4-ETHYLOCTANAL,OtherMutliCpd,Compound,CCCCC(CC)CCC=O,OWCKBMRUMZFWED-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
21924868,INVERT SUGAR,OtherMutliCpd,Compound,C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(=O)CO)O)O)O)O,PJVXUVWGSCCGHT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
21932272,2-Hydroxynaringenin,OtherMutliCpd,Compound,C1C(=O)C2=C(C=C(C=C2OC1(C3=CC=C(C=C3)O)O)O)O,NFENYLPEYDNIMO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Hydroxyflavonoids,7-hydroxyflavonoids,none,none,none,none,none,none
21944193,No_auto_id,OtherMutliCpd,Compound,C1CCCC1.C1CCC(C1)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N.C(=O)(C(F)(F)F)O.[Co+2],AQCYAPFIEBQKIA-CNRKTTKGSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
21947120,2-Ethyl-2-heptenal,OtherMutliCpd,Compound,CCCC/C=C(/CC)\C=O,RKQKOUYEJBHOFR-CLFYSBASSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Medium-chain aldehydes,none,none,none,none,none
21951591,Avenalumic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C=C/C(=O)O)O,CYYTUYSFBHDJRH-ZPUQHVIOSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
21998160,3-aminopyrrolidine-2-carboxylic acid,OtherMutliCpd,Compound,C1CNC(C1N)C(=O)O,VJLXSTXGGXYQCT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Proline and derivatives,none,none,none,none
22026982,DOTRIACONTAN-15-OL,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O,NMMHBHMCDRXJCH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
22052859,"1	21-heneicosanediol",OtherMutliCpd,Compound,C(CCCCCCCCCCO)CCCCCCCCCCO,YDIUKXTYXBWRIP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
22065265,3'-Hydroxydihydrodaidzein,OtherMutliCpd,Compound,C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC(=C(C=C3)O)O,NIUUFTCRUDJDHY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
22082179,Bornyl 2-methylbutyrate,OtherMutliCpd,Compound,CCC(C)C(=O)OC1CC2CCC1(C2(C)C)C,CEVCMCWHMHJEQS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
22182954,5-Methylhexyl acetate,OtherMutliCpd,Compound,CC(C)CCCCOC(=O)C,OOYBITFWBADNKC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
22212495,4alpha-Methylzymosterol,OtherMutliCpd,Compound,C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC=C(C)C)C,FOUJWBXBKVVHCJ-YIJYGBTNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
22213645,233665-96-8,OtherMutliCpd,Compound,CCOC(=O)CC(C)SC,OBOGJNGOEGQVPL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
22235151,Benzyl methoxyethyl acetal,OtherMutliCpd,Compound,CC(OCCOC)OCC1=CC=CC=C1,CNGTXGHYZBQUQS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
22251515,Propyl 2-mercaptopropionate,OtherMutliCpd,Compound,CCCOC(=O)C(C)S,SZNSBSIVODFXBS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid esters,none,none,none,none,none,none
22274848,Diasarone 2,OtherMutliCpd,Compound,CCC1C(C(C2=C1C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C,ZPOQFZFDKXZAGL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,none,Indanes,none,none,none,none,none,none
22288010,A837855,OtherMutliCpd,Compound,CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O,DXWGBJJLEDQBKS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
22297162,"6	7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-hexahydro-2H-pyrano[2	3-d][1	3]oxazol-2-one",OtherMutliCpd,Compound,C1=CC=C(C(=C1)N2C3C(C(C(C(O3)CO)O)O)OC2=O)O,XBYMZYWXQBJAJG-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
22297174,"4'	4''-Dihydroxyanigorootin",OtherMutliCpd,Compound,C1=CC(=C2C3=C1C=CC4=C3C5C6C7=C(C=CC8=C7C(=C(C=C8)C9=CC=C(C=C9)O)C(=O)C6(O4)O)OC5(C2=O)O)C1=CC=C(C=C1)O,MQHLUOTXEDJGPU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavans,none,none,none,none,none,none
22297200,"1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1	2-carbamate",OtherMutliCpd,Compound,C1=CC=C(C(=C1)N2C3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)OC2=O)O,UQUJYJFBLXCVJV-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
22297291,Glucoemodin,OtherMutliCpd,Compound,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O,UBVJENDWBOVRBS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
22297292,6-Chlorocatechin,OtherMutliCpd,Compound,C1C(C(OC2=CC(=C(C(=C21)O)Cl)O)C3=CC(=C(C=C3)O)O)O,BHTBHJNGFQRAJI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
22297293,7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside],OtherMutliCpd,Compound,CC1=C2COC(=O)C2=C(C=C1)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O,QSTWATBAAMDBSL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
22297560,(S)-Annocherine A,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)O)O)O,XWZBLZPLPZOXQV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
22297980,"4R	5R	6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)",OtherMutliCpd,Compound,CC1=C(C(=CC=C1)O)C(=O)OC2C(C(C=C(C2=O)CO)O)O,ZJIDZZXKQOJXMR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,o-Hydroxybenzoic acid esters,none,none,none,none,none
22298557,"(Z)-Resveratrol 3	4'-diglucoside",OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O,YGQPMDDXSJHKJT-UPHRSURJSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
22298939,"4alpha-methyl-5alpha-cholesta-8	24-dien-3-one",OtherMutliCpd,Compound,C[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC=C(C)C)C,DBPZYKHQDWKORQ-SINUOACOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
22309755,ethyl 5-amino-3-cyclopentyl-1-pyridin-4-yl-1H-pyrazole-4-carboxylate,OtherMutliCpd,Compound,CCOC(=O)C1=C(N(N=C1C2CCCC2)C3=CC=NC=C3)N,RQBDMGDWDNXUHR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Pyrazole carboxylic acids and derivatives,none,none,none,none,none,none
22326306,"2-amino-3	4-dihydroxypentanedioic acid",OtherMutliCpd,Compound,C(C(C(=O)O)N)(C(C(=O)O)O)O,SODSBJHVKSGOIZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
22327742,SCHEMBL200150,OtherMutliCpd,Compound,CCC(C)C(O)S,MRVKDGZLSALAIU-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thiols,Alkylthiols,Alkylthiols,none,none,none,none,none,none
22328017,3-HYDROXYSUBERIC ACID,OtherMutliCpd,Compound,C(CCC(=O)O)CC(CC(=O)O)O,ARJZZFJXSNJKGR-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
22337952,"1-phenyl-4-(2-phenylethyl)-1	2	3	4-tetrahydronaphthalene",OtherMutliCpd,Compound,C1CC(C2=CC=CC=C2C1CCC3=CC=CC=C3)C4=CC=CC=C4,ILCNDBNTTSAFLO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Tetralins,none,Tetralins,none,none,none,none,none,none
22375086,Cholesteryl ferulate,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C,CPBQNAKTSMCPNH-GZTJUZNOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
22495178,trans-3-Octenedioic acid,OtherMutliCpd,Compound,C(C/C=C/CC(=O)O)CC(=O)O,QWWZNXBOJLOHGI-HNQUOIGGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
22524619,AC1NSSWA,OtherMutliCpd,Compound,C\1C(NC(=C/C1=C\C=[NH+]\C(CCC(=O)N)C(=O)[O-])C(=O)O)C(=O)O,PDBJJFJKNSKTSW-SIABEIIVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
22561416,SCHEMBL4624203,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)CCCCCC(CCCCCCCCC)O,QFHNVRXMVIWOFO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
22609086,CTK9A4086,OtherMutliCpd,Compound,CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)O)CO)O)CO)O)OC3C(C(C(C(O3)CO)O)O)O,CJOPBLPCFAQCNO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
22630387,No_auto_id,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O,RPVIQWDFJPYNJM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
22665100,SCHEMBL5384116,OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCC1=CC(=CC(=C1C(=O)O)O)O,ACSAQPSTIMIXGH-BQYQJAHWSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,none,none,none,none,none,none
22675590,L-Acetopine,OtherMutliCpd,Compound,C(CC(C(=O)O)NCC(=O)O)CN=C(N)N,LJNDQMBPIQGDNB-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
22718840,4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)OC(=O)C,WVUZLAMBBZISKM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
22723638,"5-hydroxy-14-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2	6	6	11	15-pentamethyltetracyclo[8.7.0.0;{2	7}.0;{11	15}]heptadec-1(10)-en-9-one",OtherMutliCpd,Compound,CC(CC/C=C(\C)/CO)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C,AZPOACUDFJKUHJ-DJKKODMXSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
22752005,4-Hydroxy-5-methyl-3(2H)-thiophenone,OtherMutliCpd,Compound,CC1=C(C(=O)CS1)O,GIVVLEIYPVKDNV-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Vinylogous thioesters,none,Vinylogous thioesters,none,none,none,none,none,none
22753774,SCHEMBL11505126,OtherMutliCpd,Compound,C1CC2=CC(=C(C=C2C3=C(C=C(C=C31)O)O)O)O,NIGUICNPKCJLJQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Hydrophenanthrenes,Hydrophenanthrenes,none,none,none,none,none,none
22831877,UNII-4E1875N4ZT,OtherMutliCpd,Compound,CCCC(CCC)NC(=O)C1=CC2=C(C=C1)OCO2,YOBNUUGTIXQSPD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
22833389,DSSTox_CID_9300,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)OCCO)OCCO)O,CRBBOOXGHMTWOC-NPDDRXJXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
22833504,No_auto_id,OtherMutliCpd,Compound,CCC[N+](C)(C)CC[N+](C)(C)CCO.[Cl-].[Cl-],CWGGVEODDNRPEU-UHFFFAOYSA-L,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,none,none,none,none,none,none
22833510,GPEA,OtherMutliCpd,Compound,C(CO)N(CC(CO)O)P(=O)(O)O,FRMZOWIQVCBEAC-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Organic phosphoramides,Organic phosphoramides,none,none,none,none,none,none
22833512,NADP-reduced,OtherMutliCpd,Compound,C1C=CN(C=C1C(=O)N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O,ACFIXJIJDZMPPO-NCHANQSKSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
22833517,16beta-Hydroxyestrone,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)O)CCC4=C3C=CC(=C4)O,WPOCIZJTELRQMF-LFRCEIEQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
22833524,Sialosonic acid,OtherMutliCpd,Compound,C([C@@H]([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O)C(=O)C(=O)O,FQHUAUMYHAJTDH-IMSDGWMTSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
22833525,3-Methoxy-4-hydroxyphenylglycol glucuronide,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C(CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,VMWCOZPKGQMCRO-UICVJNQZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
22833529,"3a	6a	12a-trihydroxy-5b-cholan-24-oic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C[C@@H](C4[C@@]3(CC[C@H](C4)O)C)O)O)C,GCAHOAMXTYBLNZ-YAZNBHORSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
22833531,SCHEMBL18286982,OtherMutliCpd,Compound,C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)CC4[C@@]3(CCC(=O)C4)C)C,UZRRNRRCPZZPNY-ZECRIGHZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Bile acids-- alcohols and derivatives,none,none,none,none,none,none
22833535,Galactosyl-delta-hydroxylysine,OtherMutliCpd,Compound,C(CCN)C[C@@H](C(=O)O)N(C1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O,RCPOVANIIKXVTB-YPPRVYOWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Glycosyl-amino acids,none,none,none,none,none
22833539,glycodeoxycholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,WVULKSPCQVQLCU-ZMBDPXIHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
22833540,12-Deoxycholylglycine,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,GHCZAUBVMUEKKP-AHBZRTSYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
22833543,Cholesterol palmitoleate,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C)C)C,HODJWNWCVNUPAQ-FSAOOAOSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
22833544,L-Cysteinylglycine disulfide,OtherMutliCpd,Compound,C([C@@H](C(=O)O)N)SSCC(C(=O)NCC(=O)O)N,ZHRLECIZINSPKL-AKGZTFGVSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
22833549,"N-Acetylgalactosamine 4	6-disulfate",OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O,KWDXXNWKTRGMDM-IYWGXSQHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
22833559,D-Sedoheptulose 7-phosphate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O)OP(=O)(O)O,CBIDVWSRUUODHL-QTSLKERKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
22833562,"2	4-Decadienoyl-CoA",OtherMutliCpd,Compound,CCCCC/C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,FASAKYLWSRDQOH-IKZSJNQUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
22833566,25-HYDROXYVITAMIN D2,OtherMutliCpd,Compound,C[C@H](/C=C/[C@H](C)C(C)(C)O)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,KJKIIUAXZGLUND-BJWBXCNSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
22833570,"3	4-Dihydroxyphenylglycol O-sulfate",OtherMutliCpd,Compound,C1=CC(=C(C=C1C(CO)O)O)OS(=O)(=O)O,MFYFKAXYRXODPL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
22833574,5-Pyrophosphomevalonate,OtherMutliCpd,Compound,C[C@](CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O,SIGQQUBJQXSAMW-LURJTMIESA-N,Organic compounds,Organic oxygen compounds,Organic oxoanionic compounds,Organic pyrophosphates,Organic pyrophosphates,none,none,none,none,none,none
22833580,O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@H](C=O)NC(=O)C)[C@H]([C@@H](CO)O)O)CO)O)O)O)O)O,SJHVKKOMMHUSLU-BKFPXMEMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
22833581,O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C([C@H](O[C@H]1OC[C@H]([C@@H]([C@@H](C(C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)CO)O[C@H]3[C@@H](C(C([C@H](O3)CO)O)O)O)O,HKHAQIZMVCMZAO-KMKHDUTPSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
22833583,Malonylcarnitine,OtherMutliCpd,Compound,C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CC(=O)O,ZGNBLKBZJBJFDG-ZETCQYMHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
22833586,"3-trans	5-cis-Octadienoyl-CoA",OtherMutliCpd,Compound,CCC/C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2N=CN=C3N)O)CP(=O)(O)O)O,YHRBHCTXYJGORE-OHKXNCGGSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside diphosphates,Purine 3'-deoxyribonucleoside diphosphates,none,none,none,none,none
22833587,Baranate,OtherMutliCpd,Compound,C[C@H](CC[C@H]([C@H](C(=O)O)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,NRDKNLGDNLHWHG-IYELHLJQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
22833588,N-Acetyl-6-O-L-fucosyl-D-glucosamine,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H](C(O1)OCC([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)O)O)O)O)O,YBWAUUBLHOFOPK-SOHGFDPZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
22833590,R-Methylmalonyl-CoA,OtherMutliCpd,Compound,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MZFOKIKEPGUZEN-YLYUOEEYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
22833601,CHEBI:88888,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2C1[C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O,WSBVSABEAXNERB-JNLBVXOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
22833604,2-Deoxy-beta-L-erythro-pentofuranose,OtherMutliCpd,Compound,C1[C@H]([C@@H](O[C@@H]1O)CO)O,PDWIQYODPROSQH-WISUUJSJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
22833607,Mesohydroxy uroporphyrin III,OtherMutliCpd,Compound,C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)C(C(=O)O)O)CCC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CC(=O)O)CCC(=O)O)N2)CC(=O)O)CCC(=O)O,YJTWTRZGXOUSMM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Porphyrins,Porphyrins,none,none,none,none,none,none
22833609,HMDB03556,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O,HSRZMOSQMYFZBL-CGKOVJDHSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
22833612,2-methoxyestrone-3-glucuronoside,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)O)O)O)O,CLTGLDLWQUZPJU-OOJOVCNMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
22833648,Cultivate,OtherMutliCpd,Compound,CCC(=O)O[C@@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF,WMWTYOKRWGGJOA-SMFDZHJNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Steroid esters,none,none,none,none,none,none
22833650,TF2B,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O,AATSUYYYTHJRJO-RZYARBFNSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,none,none,none,none,none,none
22833651,HMDB05788,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O,MKTFRRIBCBTOKJ-CRFHJIRQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,none,none,none,none,none,none
22833652,HMDB05790,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@H]([C@H]3[C@@H]([C@H](O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)O)O,VXMKYRQZQXVKGB-CWWHNZPOSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
22833653,HMDB05795,OtherMutliCpd,Compound,C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C(OC(=O)C9=CC(=C(C(=C9C1=CC(=C(C(=C1C(=O)O8)O)O)O)O)O)O)C=O)O,BFMMRDUWGRKGNX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
22833655,HMDB05811,OtherMutliCpd,Compound,C1[C@@H](CC(=O)C2=C(C=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O)O)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O,AZXIAVOSESIQNG-SCXABSQUSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
22833656,2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC(C(C(C(C=O)NC(=O)C)O)O)O)O)O)O,YBWAUUBLHOFOPK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
22833657,HMDB06211,OtherMutliCpd,Compound,C(=O)N/C(=N\[C@H]1[C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)/N,OKXISSDNJVDCJE-KKQCNMDGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
22833661,N-Acetyl-D-galactosamine 1-phosphate,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OP(=O)(O)O)CO)O)O,FZLJPEPAYPUMMR-KEWYIRBNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
22833663,3-Oxostearoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,LGOGWHDPDVAUNY-LFZQUHGESA-L,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
22833681,Lex-lactose,OtherMutliCpd,Compound,C[C@@H]1[C@@H]([C@@H](C([C@H](O1)O[C@H]2C([C@H](O[C@H](C2NC(=O)C)O[C@@H]3[C@H]([C@@H](OC(C3O)CO)OC([C@@H]([C@H](C=O)O)O)C(CO)O)O)CO)O[C@H]4[C@@H](C(C(C(O4)CO)O)O)O)O)O)O,WMYQZGAEYLPOSX-JOEMMLBASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
22834921,Castacrenin G,OtherMutliCpd,Compound,C1C2C(C3C4C5C6=C(C(=C7C8=C6C(=O)OC9=C8C(=CC(=C9O)O)C(=O)O7)O)OC55C(C(=C(C5=O)O)C5=C(C(=C(C(=C5C(=O)O3)C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O)O)C(=O)O4)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O,IVKFUZPXWZMSIV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
22880141,"1	2-Diarachidoyl-sn-glycero-3-phosphocholine",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,YKIOPDIXYAUOFN-YACUFSJGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
22889661,Trilignocerin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,KNXWLXDVNAYUHZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
22922043,CHEMBL2048511,OtherMutliCpd,Compound,CC(C)CC(=O)OC(C(C)C)C(=O)O,SOJFCTIYHPWXGZ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
22954531,Omphalotin B,OtherMutliCpd,Compound,CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(CC(=O)N2C(CC3(C2NC4=CC=CC=C43)O)C(=O)N(C(C(=O)N1)C(C)C)C)C)C(C)CC)C)C(C)C)O)C)C(C)C(C)OC(=O)CC(C)(C)O)C)C(C)(C)O)C)C)C(C)C)C)C(C)C)C,OXFJMJABEYYCPG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
22954532,Omphalotin D,OtherMutliCpd,Compound,CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(CC(=O)N2C(CC3(C2NC4=CC=CC=C43)O)C(=O)N(C(C(=O)N1)C(C)C)C)C)C(C)CC)C)C(C)C)OC(=O)C)C)C(C)C(C)OC(=O)C)C)C(C)(C)O)C)C)C(C)C)C)C(C)C)C,LZXREDXOPNVYFH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
22954533,Omphalotin C,OtherMutliCpd,Compound,CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(CC(=O)N2C(CC3(C2NC4=CC=CC=C43)O)C(=O)N(C(C(=O)N1)C(C)C)C)C)C(C)CC)C)C(C)C)OC(=O)C)C)C(C)C(C)OC(=O)CC(C)(C)O)C)C(C)(C)O)C)C)C(C)C)C)C(C)C)C,NYCXYCGYQNIQSJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
23036629,Nonadecanoylbenzoylmethane,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,PVCWUUNBWBIRPO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
23036634,"1-Phenyl-1	3-pentadecanedione",OtherMutliCpd,Compound,CCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,LRUAQNOCINSQGB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
23036635,Pentadecanoylbenzoylmethane,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,IPZRZZFTWQQXIU-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
23039305,3-(Ethylthio)-1-butanol,OtherMutliCpd,Compound,CCSC(C)CCO,RNFXBUGJWZOUJT-UHFFFAOYSA-N,Organic compounds,Organosulfur compounds,Thioethers,Dialkylthioethers,Dialkylthioethers,none,none,none,none,none,none
23208897,Gamma-Aminobutyryl-lysine,OtherMutliCpd,Compound,C(CCN)CC(C(=O)O)NC(=O)CCCN,OCBQYJFUZHJRIU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
23244604,Promucosine,OtherMutliCpd,Compound,COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C(=O)OC)OC,RRWYPLCSLKEVAO-UHFFFAOYSA-N,Organic compounds,Alkaloids and derivatives,Proaporphines,none,Proaporphines,none,none,none,none,none,none
23246261,Artemidiol,OtherMutliCpd,Compound,CCC(C(C1=CC2=CC=CC=C2C(=O)O1)O)O,CRXSSRPVDGICML-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isocoumarins and derivatives,none,Isocoumarins and derivatives,none,none,none,none,none,none
23247891,Lucidenic acid D2,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C,LTJSBYAKDOGXLX-JTJCPSTFSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
23250008,5'-prenylxanthohumol,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)CC=C(C)C)O)C,HOTYOZVURUOVTK-XNTDXEJSSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
23286475,SCHEMBL7566080,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O,PTFJEDBJXCZCDO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
23421327,No_auto_id,OtherMutliCpd,Compound,CCOP(=S)(OCC)OC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O,FFZZWPUMLAXUAB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavanones,Flavanonols,none,none,none,none,none
23427392,2-Hydroxy-22-methyltetracosanoic acid,OtherMutliCpd,Compound,CCC(C)CCCCCCCCCCCCCCCCCCCC(C(=O)O)O,IJYLBYZUFMZUOS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
23527400,Triticusterol,OtherMutliCpd,Compound,CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3CCC4C(C)CCC(=C)C(C)C)C,QLDNWJOJCDIMKK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
23583136,UNII-SQK5F3Y21Q,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)O)OC)O)O,HFWSXNDMKGHKRD-NHCUHLMSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
23590061,OMPHALOTIN A,OtherMutliCpd,Compound,CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)NC(C(=O)N(C(C(=O)N(CC(=O)NC(C(=O)N(C(C(=O)N1)C(C)C)C)CC2=CNC3=CC=CC=C32)C)C(C)CC)C)C(C)C)C)C(C)CC)C)C(C)C)C)C)C(C)C)C)C(C)C)C,RPRXGEAIZUOLRT-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
23592950,Glutarylglycine,OtherMutliCpd,Compound,C(CC(=O)NCC(=O)O)CC(=O)O,NBLKTRLPZFCMJG-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
23617285,N-Choloylglycine,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C,RFDAIACWWDREDC-MZMBZMQMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
23623651,Bornyval,OtherMutliCpd,Compound,CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C,MPYYVGIJHREDBO-YWPYICTPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
23644716,CHEMBL230171,OtherMutliCpd,Compound,CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)O)C,BPAOIWJIBRXDOC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Sulfanilides,Sulfanilides,none,none,none,none,none,none
23644956,lysine sulfonamide analogue 21,OtherMutliCpd,Compound,CC(C)CN(C(CCCCNC(=O)[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)[N+]3=CC=NC=C3)CO)S(=O)(=O)C4=CC=C(C=C4)N,LEXJKRYEXWLKNO-AEHIRBQFSA-O,none,none,none,none,none,none,none,none,none,none,none
23646732,CHEMBL54018,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)C2=CC3=C(N2)C=CC(=C3)C(=N)N)O)Cl,DJPZZIPELMVWNS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,2-phenylindoles,none,none,none,none,none,none
23657849,"(25R)-3alpha	7alpha	12alpha-trihydroxy-5beta-cholestan-26-oic acid",OtherMutliCpd,Compound,C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,CNWPIIOQKZNXBB-WBYPBBSPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
23657884,No_auto_id,OtherMutliCpd,Compound,C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H]([C@@H]([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3],DVTHXBBSXBNVCD-QMUWONGRSA-M,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Metallotetrapyrroles,Metallotetrapyrroles,none,none,none,none,none,none
23661960,POTASSIUM BENZOATE,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)[O-].[K+],XAEFZNCEHLXOMS-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
23662352,Sodium dihydrogen citrate,OtherMutliCpd,Compound,C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.[Na+],HWPKGOGLCKPRLZ-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
23662384,SODIUM DIACETATE,OtherMutliCpd,Compound,CC(=O)O.CC(=O)[O-].[Na+],BHZOKUMUHVTPBX-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,Acetate salts,none,none,none,none,none
23663619,Potassium propionate,OtherMutliCpd,Compound,CCC(=O)[O-].[K+],BWILYWWHXDGKQA-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
23666456,SODIUM LACTATE,OtherMutliCpd,Compound,CC(C(=O)[O-])O.[Na+],NGSFWBMYFKHRBD-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
23667983,19589-59-4,OtherMutliCpd,Compound,CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+],VQOIVBPFDDLTSX-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Benzenesulfonic acids and derivatives,none,none,none,none,none,none
23669634,Potassium (S)-2-amino-4-carboxybutanoate,OtherMutliCpd,Compound,C(CC(=O)O)[C@@H](C(=O)[O-])N.[K+],HQEROMHPIOLGCB-DFWYDOINSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
23671663,POTASSIUM LACTATE,OtherMutliCpd,Compound,CC(C(=O)[O-])O.[K+],PHZLMBHDXVLRIX-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
23671849,Sodium stearoyl-2-lactylate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+],ODFAPIRLUPAQCQ-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
23673840,POTASSIUM STEARATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)[O-].[K+],ANBFRLKBEIFNQU-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
23675735,132-27-4,OtherMutliCpd,Compound,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],KSQXVLVXUFHGJQ-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
23675775,Potassium laurate,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)[O-].[K+],HIDKSOTTZRMUML-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
23676743,Potassium palmitate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)[O-].[K+],MQOCIYICOGDBSG-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
23679528,No_auto_id,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)OS(=O)(=O)[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O.[K+],ZOXYYKAWQLYTMX-UHFFFAOYSA-M,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
23681127,Potassium hydrogen tartrate,OtherMutliCpd,Compound,[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.[K+],KYKNRZGSIGMXFH-ZVGUSBNCSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
23682007,Acid orange 12,OtherMutliCpd,Compound,C1=CC=C(C=C1)N/N=C/2\C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+],MWRMYQCXIXUBGJ-HYNBPGMHSA-M,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
23682650,Potassium dihydrogen citrate,OtherMutliCpd,Compound,C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.[K+],WKZJASQVARUVAW-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
23686147,Potassium myristate,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)[O-].[K+],PYJBVGYZXWPIKK-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
23688501,Potassium decanoate,OtherMutliCpd,Compound,CCCCCCCCCC(=O)[O-].[K+],QDIGBJJRWUZARS-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
23688912,Lithium myristate,OtherMutliCpd,Compound,[Li+].CCCCCCCCCCCCCC(=O)[O-],KJSPVJJOPONRTK-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
23691975,"sodium 3-(2	4-dihydroxy-4-methylpentanamido)propanoate",OtherMutliCpd,Compound,CC(C)(CC(C(=O)NCCC(=O)[O-])O)O.[Na+],ROMBWECPDOCQMZ-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
23693095,SODIUM MYRISTATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)[O-].[Na+],JUQGWKYSEXPRGL-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
23693558,Sodium ferric gluconate complex,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Na+].[Fe+3],PKNUOQOQWGOWBO-ZBHRUSISSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
23706213,9004-32-4,OtherMutliCpd,Compound,CC(=O)[O-].C(C(C(C(C(C=O)O)O)O)O)O.[Na+],QMGYPNKICQJHLN-UHFFFAOYSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,none,none,none,none,none
23707505,Monosodium D-glucoheptonate,OtherMutliCpd,Compound,C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.[Na+],FMYOMWCQJXWGEN-BMZZJELJSA-M,none,none,none,none,none,none,none,none,none,none,none
23707962,"Benzenesulfonic acid	 decyl-	 sodium salt",OtherMutliCpd,Compound,CCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],RKYIBTYKESBLTH-UHFFFAOYSA-M,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzenesulfonic acids and derivatives,Benzenesulfonic acids and derivatives,none,none,none,none,none,none
23720076,SCHEMBL10636566,OtherMutliCpd,Compound,CCOC(C)OC(C)C(=O)[O-].[K+],KUWQDXACCYCNOY-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
23724503,adenosylcobinamide-GDP,OtherMutliCpd,Compound,C/C/1=C/2\[C@H]([C@]([C@@]([N-]2)(C3[C@@H]([C@@](C(=N3)/C(=C\4/[C@H](C(C(=N4)/C=C\5/[C@H]([C@](C1=N5)(C)CC(=O)N)CCC(=O)N)(C)C)CCC(=O)N)/C)(C)CCC(=O)NCC(C)OP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C7NC(=NC8=O)N)O)O)CC(=O)N)C)(C)CC(=O)N)CCC(=O)N.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3],OFDUZNRJZVGJAC-FGHWVWCISA-M,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside diphosphates,none,none,none,none,none,none
23724511,teniposide,Drug,Compound,COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC6[C@@H]([C@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CS8)O)O,NRUKOCRGYNPUPR-ZVYBSHBNSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan lactones,Podophyllotoxins,Podophyllotoxins,none,none,none,none,none,none
23724570,gamma-Glutamyl-GABA,OtherMutliCpd,Compound,C(CC(=O)O)CNC(=O)CC[C@@H](C(=O)O)N,MKYPKZSGLSOGLL-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
23724571,Episterol,OtherMutliCpd,Compound,C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C,BTCAEOLDEYPGGE-LPWCLQGBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
23724575,5-Dehydroavenasterol,OtherMutliCpd,Compound,C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C,XPRWWANUPMYKMF-UUHDPGOWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
23724596,4alpha-Methylzymosterol-4-carboxylate,OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C,MYWAIWDQTCHPTH-YCIQJMEESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
23724601,2-methyl-6-phytylhydroquinone,OtherMutliCpd,Compound,CC1=CC(=CC(=C1O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)O,GTWCNYRFOZKWTL-XQNSMLJCSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Diterpenoids,none,none,none,none,none,none
23724604,"4	4-dimethylcholest-8(9)-en-3beta-ol",OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C,FYHRVINOXYETMN-HFPXORMNSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
23724625,3-Methyl-1-hydroxybutyl-ThPP,OtherMutliCpd,Compound,CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CC(C)C)O)CCOP(=O)(O)OP(=O)(O)O,OZAWOYZVNPQFFO-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
23724626,2-methyl-1-hydroxypropyl-TPP,OtherMutliCpd,Compound,CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C(C)C)O)CCOP(=O)(O)OP(=O)(O)O,SSYCSHKTIOHFEZ-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
23724627,2-Methyl-1-hydroxybutyl-ThPP,OtherMutliCpd,Compound,CC[C@H](C)C(C1=[N+](C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)CC2=CN=C(N=C2N)C)O,CUBSXOWPMAOFDG-MYHCZTBNSA-O,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Thiamines,Thiamine phosphates,none,none,none,none,none
23724629,C15981,OtherMutliCpd,Compound,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=C[C@@H](CC2(C)C)O)C)/C)/C,ORAKUVXRZWMARG-DWADUKLPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
23724657,6''-O-MALONYLGLYCITIN,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O,OWMHCYFEIJPHFB-GOZZSVHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
23724697,"Cyanidin 3-(3''	6''-dimalonylglucoside)",OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)OC(=O)CC(=O)O)O)O)O,CXGHPQSURHQOBH-MQWSOPDOSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
23724704,Pelargonidin 3-O-sophoroside,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,HASVPNDDKSXPGU-WGNLCONDSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
23724732,7-Methylxanthosine,OtherMutliCpd,Compound,CN1C=[N+](C2=C1C(=O)NC(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,SYPRQIWERSQQNL-KQYNXXCUSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
23724781,Pamine,Drug,Compound,C[N+]1([C@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-],CXYRUNPLKGGUJF-JIRGPDKYSA-M,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
23757216,MEGxp0_001074,OtherMutliCpd,Compound,CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O)O,ZALWWUJLKFBCQF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
23760102,Sagerinic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(C2C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)O)O,SUYLTDFWHNXGDX-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Cyclobutane lignans,none,Cyclobutane lignans,none,none,none,none,none,none
23806798,SAn1_008915,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H](O[C@@]12C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)N5C6=CC=CC=C6OC7=CC=CC=C7C5=O)CCO)[Si](C)(C)C8=CC=C(C=C8)OC,GMAFWWMMSVMFDA-ZSSHPJKDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Diarylethers,none,none,none,none,none,none
23872112,41535-95-9,OtherMutliCpd,Compound,CC(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC,ULZFTGWWPHYLGI-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
23874492,N-trans-p-Coumaroyloctopamine,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCC(C2=CC=C(C=C2)O)O)O,VATOSFCFMOPAHX-XCVCLJGOSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
23930394,264236-77-3,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,ATUYSKUVHUPXBV-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
24013837,ACon1_001637,OtherMutliCpd,Compound,C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)(CO)CO)OC8C(C(C(C(O8)C(=O)O)O)O)O,JIQJLTYISYGHSI-LJHCCFALSA-N,none,none,none,none,none,none,none,none,none,none,none
24066897,MEGxp0_000376,OtherMutliCpd,Compound,CC(C(C1=CC(=C(C(=C1)OC)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC,JJVOBQHHQSQIMW-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
24096391,66648-44-0,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCC(C2=CC=C(C=C2)O)O)O,VJSCHQMOTSXAKB-YCRREMRBSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
24148525,MEGxp0_000532,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)/C=C/C2=CC=CC=C2,WBBHYMRWGHBXLS-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
24178114,PE(14:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN,VQQFJLCUEFKGHJ-JGCGQSQUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
24181577,VZ27791,OtherMutliCpd,Compound,C1=CC=C2C(=O)C=CC(=NNC3=CC=C(C=C3)S(=O)(=O)O)C2=C1.[Na+],HMWJVUNISIEXFR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
24182474,T.E.E.,OtherMutliCpd,Compound,CCOC(=O)C(CC1=CC=C(C=C1)O)N.[Cl-],BQULAXAVRFIAHN-UHFFFAOYSA-M,none,none,none,none,none,none,none,none,none,none,none
24189323,73713-88-9,OtherMutliCpd,Compound,C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)O.Cl,GFHGXYFPFUPDMZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
24189734,NSC95519,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)C(=O)CCN2CCC3CCC(C3)C2.Cl,IMINGTQFHFKYAW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
24190534,No_auto_id,OtherMutliCpd,Compound,CC(C(C(CC=O)N)O)O.[Cl-],FHYCNFQONIRRCV-UHFFFAOYSA-M,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--3-aminoalcohols,none,none,none,none,none
24192250,SCHEMBL170872,OtherMutliCpd,Compound,C(CC(=O)O)C(C(=O)O)N.[Na],UVZZAUIWJCQWEO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
24204442,Calendulaglycoside B,OtherMutliCpd,Compound,C[C@@]12CCC3(CCC(CC3C1=CCC4C2(CCC5C4(CC[C@@H](C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)(C)C)C(=O)O,YDZWHGJRWMQCDP-MQYWXEPLSA-N,none,none,none,none,none,none,none,none,none,none,none
24212009,UNII-209829NC6Z,OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].O.O.O.[Ca+2],HZQXCUSDXIKLGS-UHFFFAOYSA-L,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acids,none,none,none,none,none,none
24252761,"6-methoxy-2	2-dimethyl-4-chromanol",OtherMutliCpd,Compound,CC1(CC(C2=C(O1)C=CC(=C2)OC)O)C,OGDIMNNYYGBSQY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,2--2-dimethyl-1-benzopyrans,none,none,none,none,none,none
24740615,"4	6-Decadiyn-1-ol",OtherMutliCpd,Compound,CCCC#CC#CCCCO,HVQWHMMQKIPWDD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
24750458,"7	8	3'	4'	5'-pentamethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC,IQXUAKMLDBLFJK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
24750459,"3'	4'	5'	7	8-Pentamethoxyflavan",OtherMutliCpd,Compound,COC1=C(C2=C(CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C=C1)OC,PAGHIDUEYGMXRM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
24758425,delta-Aldosterone,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@H]4C(=O)CO)C=O)O,PQSUYGKTWSAVDQ-SRPWZAMTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
24771772,SCHEMBL14620340,OtherMutliCpd,Compound,C(COP(=O)(O)OCC(COC=O)OC=O)N,FNMRNKWEDURENQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
24772948,Violanone,OtherMutliCpd,Compound,COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)O,ILOKNKKFXJKHMB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
24774964,No_auto_id,OtherMutliCpd,Compound,C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C)OC1(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O,OECBZCPEYQGOIL-UJCYOJADSA-N,none,none,none,none,none,none,none,none,none,none,none
24778611,PC(14:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,JERIBPHBOOFETI-PGUFJCEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778633,PC(14:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,VELOKQJUJJVGMB-RRHRGVEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778638,PC(14:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,KNQNJCODLDRFSM-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778642,PC(14:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,HZKNKWPYIHKKKL-USYZEHPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778654,PC(15:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,LJARBVLDSOWRJT-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778655,PC(15:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,LLHISNQVRRYJGL-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778679,PC(16:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,UIXXHROAQSBBOV-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778680,PC(16:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,NPGWXTIWUUFYAB-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778686,PC(16:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,PZNPLUBHRSSFHT-RRHRGVEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778711,PC(16:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,HVPURDWMANOTFO-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778726,PC(16:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,GHBAFISLPNCOEP-USYZEHPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778743,PC(16:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,UEWKKZXJWBVMLY-YACUFSJGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778840,PC(18:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,ZNSGCWMTNLBFEQ-USYZEHPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778864,PC(18:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,XCPRRNDRDMFPPP-YACUFSJGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24778880,PC(18:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,JAGKNQMHXVLJKL-QSCHNALKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779028,PC(20:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,GNUQJONGMHMBKN-RRHRGVEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779030,PC(20:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,JJSZXCSTFDBBBZ-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779032,PC(20:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,PFDOAXXOABJINJ-USYZEHPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779050,PC(20:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,UTWUFCVPUHKIOD-QSCHNALKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779104,PC(22:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,JFNNIQMJYCUZKY-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779107,PC(22:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,XOEFPTAEGQLDQS-YACUFSJGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779162,PC(24:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,GFTINFYKXJTEDX-QSCHNALKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779171,PC(24:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,XOAMGMFHUNHBEM-AXAMJWTMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
24779458,1-pentadecanoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,RJZVWDTYEWCUAR-JOCHJYFZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
24779463,1-heptadecanoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,SRRQPVVYXBTRQK-XMMPIXPASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
24779473,LysoPC(20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,UATOAILWGVYRQS-HHHXNRCGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
24779479,1-docosanoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,UIINDYGXBHJQHX-GDLZYMKVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
24779481,LysoPC(24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,SKJMUADLQLZAGH-WJOKGBTCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
24779491,2-octadecanoyl-sn-glycero-3-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C,IQGPMZRCLCCXAG-RUZDIDTESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,2-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
24779552,PG(18:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCC,FVJZSBGHRPJMMA-IOLBBIBUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerols,Phosphatidylglycerols,none,none,none,none,none,none
24779614,3a-Hydroxy-5b-pregnane-20-one,OtherMutliCpd,Compound,CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,AURFZBICLPNKBZ-KCZNCWLVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
24788952,SCHEMBL13714894,OtherMutliCpd,Compound,C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC4C(OC5(O4)C=CC6=C(O5)C=C7C(=C6OC/C=C(\C)/CCC(C(C)(C)O)O)C=CO7)(C)C,XJFYVHQSQCXVIW-LVSXPEEVSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
24796468,11-Methoxyyangonin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=O)O2)OC)OC,GBJRDULCMRSYSL-XQRVVYSFSA-N,Organic compounds,Phenylpropanoids and polyketides,Kavalactones,none,Kavalactones,none,none,none,none,none,none
24797519,2-o-caffeoylhydroxycitric acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O)O,OUWOVSUGDPWIBY-DUXPYHPUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
24808975,Benzyl 4-O-(4-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)-beta-D-glucopyranoside,OtherMutliCpd,Compound,C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O,MHJLZPNUWVYFMR-VAAZCZNESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
24820110,No_auto_id,OtherMutliCpd,Compound,CN1C[C@H](C2=CC(=C(C=C21)O)O)O,ADHYBIYGSXQYDM-SECBINFHSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
24832089,28588-76-3,OtherMutliCpd,Compound,CC1=C(C=CO1)SSSSC2=C(OC=C2)C,WCQMHJWTXQMUQE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
24832094,Certolake erythrosine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Al+3].[Al+3],PMKLVGOZGNPKLG-UHFFFAOYSA-H,none,none,none,none,none,none,none,none,none,none,none
24833885,Asparogoside C,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C)OC1,ZJCKMLSMXPLTKX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
24836902,Hydrobamine,Drug,Compound,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2],DQOCFCZRZOAIBN-UVKKECPRSA-L,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
24836904,Colisticin,Drug,Compound,CCC(C)CCCCC(=O)NCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)C(C)O,RPABDKTXMKOGKI-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
24838540,SCHEMBL17111071,OtherMutliCpd,Compound,CCCCOCCOCC(C)OCCCOC,PXWCUJRVSZCPHE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Ethers,Dialkyl ethers,none,none,none,none,none,none
24846126,Agavasaponin E,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)C)OC1,HYUWBRLXQLHDHD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
24846127,LS-146350,OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)C)OC1,WJBORTPOEMQYQL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
24847850,Acetyl di-starch adipate,OtherMutliCpd,Compound,CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OC(=O)CCCCC(=O)OC5C(OC(C(C5O)O)OC)CO)O)O)O)OC(=O)C,IWWHXNDUEBMKRA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Saccharolipids,none,Saccharolipids,none,none,none,none,none,none
24847852,"Starch	 bleached",OtherMutliCpd,Compound,CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(=O)C(C(C(O4)CO)OC)O)O)O)O)O,XSFCCWULLRIRGA-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
24847855,Oxidized polyethylene,OtherMutliCpd,Compound,CC(C(CCCCC=O)O)C(=O)CCC(=O)O,AZUZXOSWBOBCJY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
24847866,No_auto_id,Drug,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)NCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NNC(=O)C,BWVBEUNZTQWGMR-CKVIKZOTSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
24862077,2-Phenylethanol glucuronide,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,HIXLLXLCNONZRH-BYNIDDHOSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
24883428,dextrorphan O-glucuronide,OtherMutliCpd,Compound,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,YQAUTKINOXBFCA-DCWOAAMISA-N,Organic compounds,Alkaloids and derivatives,Morphinans,none,Morphinans,none,none,none,none,none,none
24884162,cis-Allyl cinnamate,OtherMutliCpd,Compound,C=CCOC(=O)/C=C\C1=CC=CC=C1,KCMITHMNVLRGJU-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
24884263,ZINC8613400,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C\COC=O,LBHJXKYRYCUGPD-DAXSKMNVSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
24884264,ZINC8616483,OtherMutliCpd,Compound,CC(C)C(=O)OC/C=C\C1=CC=CC=C1,KLKQSZIWHVEARN-TWGQIWQCSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
24884265,ZINC14652292,OtherMutliCpd,Compound,CC(C)CC(=O)OC/C=C\C1=CC=CC=C1,FOCMOGKCPPTERB-TWGQIWQCSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
24891364,N-Feruloylaspartic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NC(CC(=O)O)C(=O)O)O,SLAOOTKASUKZIE-HWKANZROSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
24891365,p-Coumaroyltyrosine,OtherMutliCpd,Compound,C1=CC(=CC=C1CC(C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O)O,LEEDEKWKJVUWGA-BJMVGYQFSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Tyrosine and derivatives,none,none,none,none
24891366,Na-p-Hydroxycoumaroyltryptophan,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC=C(C=C3)O,IDUPBPKKEQWWCP-JXMROGBWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
24891368,Caffeoyl aspartic acid,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)NC(CC(=O)O)C(=O)O)O)O,YNHFZQQNJPOYRC-DUXPYHPUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
24891369,AKOS016814299,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NC(CC(=O)O)C(=O)O)O,FKBRNPNAUOXZMQ-ZZXKWVIFSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
24892761,Se-Adenosylselenomethionine,OtherMutliCpd,Compound,C[Se+](CCC(C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,GGJFWMOVUFBSIN-YDBXVIPQSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,none,5'-deoxyribonucleosides,none,none,none,none,none,none
24892762,3-Phosphoadenylylselenate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[Se](=O)(=O)O)OP(=O)(O)O)O,AZRLZPIFEZUZLW-KQYNXXCUSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside bisphosphates,Purine ribonucleoside 3'--5'-bisphosphates,none,none,none,none,none
24892815,2-O-(6-Phospho-alpha-mannosyl)-D-glycerate,OtherMutliCpd,Compound,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)OP(=O)(O)O,BOLXAGHGKNGVBE-MTXRGOKVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Hexoses,Hexose phosphates,none,none,none,none
24893126,No_auto_id,OtherMutliCpd,Compound,CC1COC2(CC1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C4C(O2)CC5C4(CCC6C5CC(=O)[C@@H]7C6(CCC(C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O)O)O)C)C)C,IYLGRZBRMFMEOH-YZPQTCFZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,none,none,none,none,none,none
24893830,No_auto_id,OtherMutliCpd,Compound,CC1CC2=C(CCC3C2(CCC(C3(C)C)OC(=O)C)C)[C@]4(C1(C([C@@H](C4)O)C(CCC(C)C(=C)C)C(=O)O)C)C,YOXIHTBMJYKGCK-TUENUYMJSA-N,none,none,none,none,none,none,none,none,none,none,none
24898872,Clausine L,OtherMutliCpd,Compound,COC1=C(C=C2C3=CC=CC=C3NC2=C1)C(=O)OC,BYDOYRHWHKPKQP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
24973165,Bakers yeast extract,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C=CC3=C2C(C4=CC=CC=C34)CC(=O)O,GQNBDGXKDJSVGQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Fluorenes,none,Fluorenes,none,none,none,none,none,none
24975257,2-iodo-N-phenylpropanamide,OtherMutliCpd,Compound,CC(C(=O)NC1=CC=CC=C1)I,OBEYDDXSDXVDLL-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
24978184,AKOS015907238,OtherMutliCpd,Compound,C1C(N(C1=O)CCCCCCCCN)C2=CC=CC=C2,GFSOXJXBHZTUCM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Lactams,Beta lactams,Monobactams,none,none,none,none,none,none
24978604,Clitorin,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H](C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O,WRXVPTMENPZUIZ-BRKOFTMQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
25021438,BUTYL (2Z)-3-PHENYLPROP-2-ENOATE,OtherMutliCpd,Compound,CCCCOC(=O)/C=C\C1=CC=CC=C1,OHHIVLJVBNCSHV-KTKRTIGZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
25021769,"2-Propen-1-one	 3-(4-hydroxyphenyl)-1-phenyl-",OtherMutliCpd,Compound,C1=CC=C(C=C1)C(=O)/C=C\C2=CC=C(C=C2)O,PWWCDTYUYPOAIU-FLIBITNWSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,Retrochalcones,none,none,none,none,none,none
25022666,Isolimonic acid 16->17-lactone,OtherMutliCpd,Compound,CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)O)O)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C,SZSLZBYOLTYIOE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Steroid lactones,none,none,none,none,none,none
25023824,CHEMBL392856,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)NC2=C3C=CC(=CC3=NC=C2Cl)C4=CN=CS4,WRJDUUVOTWLITM-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Aminoquinolines and derivatives,4-aminoquinolines,none,none,none,none,none,none
25063347,resolvinE1,OtherMutliCpd,Compound,CCC(/C=C/C=C\CC(/C=C/C=C/C=C\C(CCCC(=O)O)O)O)O,AOPOCGPBAIARAV-WEKRNNBPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosapentaenoic acids,none,none,none,none,none,none
25074886,Cetrorelix trifluoroacetate,Drug,Compound,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.C(=O)(C(F)(F)F)O,QJPSZAPHZMUGOX-ANRVCLKPSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
25077179,D-Tryptophan-LH-RH,Drug,Compound,CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8,VXKHXGOKWPXYNA-UHFFFAOYSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
25078009,MLS000028833,Drug,Compound,CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8,HHXHVIJIIXKSOE-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
25079965,Kaempferol-7-rhamnoside,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O,HQNOUCSPWAGQND-GKLNBGJFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
25080064,Vincetoxicoside A,OtherMutliCpd,Compound,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O,OTUCXMIQUNROBJ-JFNZIVIESA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
25080119,No_auto_id,OtherMutliCpd,Compound,CCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O,CJVZCBQCJRTPTD-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
25080120,No_auto_id,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O,HHAVRMJJTUPTJX-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
25080121,No_auto_id,OtherMutliCpd,Compound,CCCCCC(=O)CC(=O)[O-].C(C(CO)O)O,MGCDWHRMOGSFGG-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
25080122,No_auto_id,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O,OBUIJXGSLHKGIH-UHFFFAOYSA-M,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
25080123,No_auto_id,OtherMutliCpd,Compound,CCCCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O,CVKKYCUFKRXUJN-UHFFFAOYSA-M,Organic compounds,Organic acids and derivatives,Keto acids and derivatives,Medium-chain keto acids and derivatives,Medium-chain keto acids and derivatives,none,none,none,none,none,none
25087690,No_auto_id,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@H]([C@H](O1)OC2=C([O+]=C3C=C(C=C(C3=C2)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O,XZUBZVMZVWFBNE-RDOJZNBBSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
25087704,ZINC257198383,OtherMutliCpd,Compound,COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O,none,none,none,none,none,none,none,none,none,none,none,none
25165313,SCHEMBL3739406,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O,OUQZCILJSVDJFB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,none,none,none,none,none
25171780,1093679-71-0,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,LTGOIJNQWZWJRF-ZYZFHZPYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
25171992,1093679-73-2,OtherMutliCpd,Compound,C1=CC(=C(C=C1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O,BSOMSDFTZKNUHY-ZYZFHZPYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
25200430,Dihydrozeatin-O-glucoside,OtherMutliCpd,Compound,CC(CCNC1=NC=NC2=C1NC=N2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,QRZHDHJUYBONQQ-CLORPHGJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
25200612,(24R)-ergost-4-en-3-one,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C,QQIOPZFVTIHASB-PHOXBLGLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
25200700,HMDB12167,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C,GFGANDKVOKQAGH-AEWFMJFUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25200718,HMDB12166,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4C(=O)O)O)C)C,RODBXVVNKJCWQR-KLZNZPMLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
25200791,"2-hydroxy-N-(1	3	4-trihydroxyoctadecan-2-yl)tricosanamide",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O,LXCDJSOYWPJYDC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Phytoceramides,none,none,none,none,none,none
25200809,2-[2-(1H-INDOL-3-YL)ACETAMIDO]PENTANEDIOIC ACID,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)O)C(=O)O,YRKLGWOHYXIKSF-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamic acid and derivatives,none,none,none,none
25200879,3-IAA glutamine,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)N)C(=O)O,DVJIJAYHBZALOJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
25200885,HMDB12169,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C,MHYWFGFPMGLYBL-GYISYUOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
25201011,N5-carboxyaminoimidazole ribonucleotide,OtherMutliCpd,Compound,C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)NC(=O)O,JHLXDWGVSYMXPL-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
25201068,CANAVANINOSUCCINATE,OtherMutliCpd,Compound,C(CONC(=NC(CC(=O)O)C(=O)O)N)C(C(=O)O)N,SGYMGUGIGTWWLU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
25201118,heliocide B2,OtherMutliCpd,Compound,CC(C)C1=C(C(=C(C2=C1C(=O)C3(CC=C(CC3C2=O)CCC=C(C)C)C)C=O)O)OC,FGQZFAWOAMMXKN-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
25201247,RIBOSE-1-ARSENATE,OtherMutliCpd,Compound,C(C1C(C(C(O1)O[As](=O)(O)O)O)O)O,RYJJOMQPAAUFBF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,none,none,none,none,none
25201302,"4	4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol",OtherMutliCpd,Compound,CC(C)CCCC(C)C1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)CO,SJPDNXKPBQHPMZ-XQVXCQOBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25201307,Heliocide H1,OtherMutliCpd,Compound,CC1=CCC2(C(C1CC=C(C)C)C(=O)C3=C(C2=O)C(=C(C(=C3C=O)O)O)C(C)C)C,FMJIKKXSIVRJGO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
25201374,(5alpha)-campestan-3-one,OtherMutliCpd,Compound,C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,DDJMOMHMVFXEQF-YGBMKENASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
25201488,n'-hydroxymethylnorcotinine,OtherMutliCpd,Compound,C1CC(=O)N([C@@H]1C2=CN=CC=C2)CO,GQUFOBHEPVFQMD-VIFPVBQESA-N,Organic compounds,Organoheterocyclic compounds,Pyridines and derivatives,Pyrrolidinylpyridines,Pyrrolidinylpyridines,none,none,none,none,none,none
25201528,CHEBI:57565,OtherMutliCpd,Compound,C(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])[NH3+],UQDJGEHQDNVPGU-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
25201774,HMDB12168,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C,WWTBBRMTEFBUND-AEWFMJFUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25201824,"N-[[3-(b-D-Glucopyranosyloxy)-2	3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)NC(CC(=O)O)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O,ANAVISFXAGVRIA-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Aspartic acid and derivatives,none,none,none,none
25201842,(22alpha)-hydroxy-campest-4-en-3-one,OtherMutliCpd,Compound,C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)O)C(C)C,FMFAICDKESPFNH-HSKWBYRYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
25201875,SCHEMBL10001351,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O,XJDLBNONNWFVMN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Phytoceramides,none,none,none,none,none,none
25201885,HMDB12173,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C,UPEGTKGKNWDIAN-GYISYUOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
25202184,No_auto_id,OtherMutliCpd,Compound,CCCS(=O)CC(C(=O)[O-])[NH3+],JZKMSAGUCSIIAH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
25202189,(22alpha)-hydroxy-5alpha-campestan-3-one,OtherMutliCpd,Compound,C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O)C(C)C,XGIZPVUTLMXXTK-UKPMHFJNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
25202259,No_auto_id,OtherMutliCpd,Compound,CCS(=O)CC(C(=O)[O-])[NH3+],CSZTZFUEOCFFJH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
25202307,Uridine 5'-(alpha-D-apio-D-furanosyl pyrophosphate),OtherMutliCpd,Compound,C1[C@@]([C@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)(CO)O,SYVORCSTSYHSPN-VPPDZDBCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine ribonucleotides,Pyrimidine ribonucleoside diphosphates,none,none,none,none,none,none
25202335,hexacosanoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,FHLYYFPJDVYWQH-CPIGOPAHSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
25202447,"N-succinyl-L	L-2	6-diaminopimelate",OtherMutliCpd,Compound,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CC(C(=O)O)N,GLXUWZBUPATPBR-MLWJPKLSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,N-acyl-L-alpha-amino acids,none,none
25202625,"4alpha-hydroxymethyl-5alpha-cholesta-8	24-dien-3beta-ol",OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C,ORZKEIGPXNMCHC-GYISYUOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
25202709,heliocide H2,OtherMutliCpd,Compound,CC(C)C1=C(C(=C(C2=C1C(=O)C3(CC=C(CC3C2=O)CCC=C(C)C)C)C=O)O)O,BSQZWSGAKJSBOZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
25202775,Cyclosan,OtherMutliCpd,Compound,CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C7C5=C3C8=C(C2=O)C(=CC(=C8C7=C(C=C6[O-])O)O)[O-])O,BTXNYTINYBABQR-UHFFFAOYSA-L,Organic compounds,Benzenoids,Pyrenes,Benzopyrenes,Benzopyrenes,none,none,none,none,none,none
25202817,kinetin-7-N-glucoside,OtherMutliCpd,Compound,C1=COC(=C1)CNC2=NC=NC3=C2N(C=N3)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,AXJIOWGMASZFOU-HMXKMONRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
25202835,HMDB12174,OtherMutliCpd,Compound,C[C@H]1C2CCC3=C([C@]2(CCC1=O)C)CC[C@]4(C3CCC4C(C)CCCC(C)C)C,SDZUXFFGOQZLPK-RJBGAFQBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
25202944,HMDB12165,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C,GLCDBDRQLZKKOJ-XQTRBMGCSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25203277,gibberellin A97,OtherMutliCpd,Compound,C[C@@]12C[C@@H](C[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])(C)C(=O)[O-])O,DBFXNHHIIKEXPP-JOJUGDBLSA-L,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Gibberellins,C20-gibberellins,C20-gibberellin 6-carboxylic acids,none,none,none,none
25203290,HMDB12170,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)CO)O)C)C,LEUVIESGHNFBEK-AEWFMJFUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25203343,"4	4-dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol",OtherMutliCpd,Compound,CC(C)CCCC(C)C1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=O,MKMLAQLNFVFNRK-XQVXCQOBSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25203379,5a-cholesta-8-en-3-one,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CCC(=O)C4)C)C,RZSXSHNNQBIPTL-HJWVNVQISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
25203435,kinetin-9-N-glucoside,OtherMutliCpd,Compound,C1=COC(=C1)CNC2=NC=NC3=C2N=CN3[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,OYLTWZIEBYEQGY-HMXKMONRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
25203454,"2-hydroxy-N-(1	3	4-trihydroxyoctadecan-2-yl)pentacosanamide",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O,YADUGDLSXPPFIP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Phytoceramides,none,none,none,none,none,none
25203493,heliocide H4,OtherMutliCpd,Compound,CC1=CCC2C(=O)C3=C(C(=C(C(=C3C=O)O)O)C(C)C)C(=O)C2(C1CC=C(C)C)C,PHFQEHPMSYAMIH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Hydroxyanthraquinones,none,none,none,none,none,none
25203699,6''-O-Malonylwistin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O,HOWDEROVXAADRI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
25203709,HMDB12171,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)CO)O)C)C,UVSRXDFMOZKKGE-AEWFMJFUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
25203730,4-Deoxycohumulone,OtherMutliCpd,Compound,CC(C)C(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O,KKFIZYKKQLWBKH-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
25207301,beta-Asp-Glu,OtherMutliCpd,Compound,C(CC(=O)O)C(C(=O)O)NC(=O)CC(C(=O)O)N,DBMVITQDGVMXEY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
25210304,trans-Chlorogenic acid,OtherMutliCpd,Compound,C1C(C(C(CC1(C(=O)O)O)OC(=O)/C=C\C2=CC(=C(C=C2)O)O)O)O,CWVRJTMFETXNAD-RQOWECAXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Alcohols and polyols,Cyclic alcohols and derivatives,Cyclitols and derivatives,Quinic acids and derivatives,none,none,none,none
25228120,No_auto_id,OtherMutliCpd,Compound,CC1=CCCC(C1)(C2CCCCC2)O,GGSABCCYFCHTGN-UHFFFAOYSA-N,none,none,none,none,none,none,none,none,none,none,none
25233765,SCHEMBL952828,OtherMutliCpd,Compound,CNCCNC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O,GQPCRBAVQDQAJU-QYVSTXNMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,5'-deoxyribonucleosides,none,5'-deoxyribonucleosides,none,none,none,none,none,none
25240035,Nonacosan-10-ol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O,CPGCVOVWHCWVTP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
25243953,gibberellin A110,OtherMutliCpd,Compound,C[C@@]12C[C@@H](C[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])(C)C(=O)[O-])O,SFGDEUSMQMGAFH-MJPABCAUSA-L,none,none,none,none,none,none,none,none,none,none,none
25243966,gibberellin A43,OtherMutliCpd,Compound,C[C@@]1([C@H]2[C@@H]([C@@]34C[C@@H](CC[C@H]3[C@@]2(C[C@@H]([C@@H]1O)O)C(=O)[O-])C(=C)C4)C(=O)[O-])C(=O)[O-],FQTLNSKVFLETSS-QBCIWLIXSA-K,none,none,none,none,none,none,none,none,none,none,none
25244080,"(E)-2'	4	4'	6'-Tetrahydroxy-3'	5'-diprenylchalcone",OtherMutliCpd,Compound,CC(=CCC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)CC=C(C)C)O)C,DOJVDXBXUHQIRO-NTEUORMPSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
25244165,O-beta-D-Glucosylzeatin,OtherMutliCpd,Compound,C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,UUPDCCPAOMDMPT-GIHYWFGSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
25244459,Isoxanthohumol B,OtherMutliCpd,Compound,CC1(CC(C2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)O)C,JMHUVLCRYBTWKZ-RMKNXTFCSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,2'-Hydroxychalcones,none,none,none,none,none,none
25244460,N2-Formyl-L-lysinamide,OtherMutliCpd,Compound,C(CCN)C[C@@H](C(=O)N)NC=O,DKPYGQKMNSGPGT-LURJTMIESA-N,Organic compounds,Organic acids and derivatives,Carboximidic acids and derivatives,Carboximidic acids,Carboximidic acids,none,none,none,none,none,none
25244686,HMDB12256,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)(O)OC1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)OP(=O)(O)OC3C(C(C(C(C3O)O)O)O)O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O,CPMOABJYWXUZCM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
25245295,N-feruloylglycinate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCC(=O)[O-])O,CLGNQAIRBLDHIN-HWKANZROSA-M,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
25245324,xanthohumol E,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C(=C1O)C(=O)/C=C/C3=CC=C(C=C3)O)OC(C=C2)(C)C)O)C,KRZGSPKDWYNTHE-XYOKQWHBSA-N,Organic compounds,Phenylpropanoids and polyketides,Linear 1--3-diarylpropanoids,Chalcones and dihydrochalcones,3-prenylated chalcones,none,none,none,none,none,none
25245571,undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C,IGGGNUSEBUZFTR-CDDUTUKUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenols,Polyprenyl phospho carbohydrates,none,none,none,none,none,none
25245677,molybdopterin-AMP,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)N=C(N6)N)S)S)O)O,XJXFAXLUOKQPAQ-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Molybdopterin dinucleotides,none,Molybdopterin dinucleotides,none,none,none,none,none,none
25245759,trans-zeatin-7-N-glucoside,OtherMutliCpd,Compound,C/C(=C/CNC1=NC=NC2=C1N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO,HTDHRCLVWUEXIS-SBQJELAYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
25245846,N-gamma-Glutamyl-S-(1-propenyl)cysteine,OtherMutliCpd,Compound,C/C=C/SCC(C(=O)O)NC(=O)CCC(C(=O)O)N,MUFSTXJBHAEIBT-GORDUTHDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
25245972,HMDB12237,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O,PMXMKGYRVPAIJJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
25246093,HMDB12257,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)(O)OC1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O,ZKFACHLEPWMTPW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
25246267,No_auto_id,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[O-])O,YPWHZCPMOQGCDQ-CXWQUDHASA-M,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
25255091,RETROFRACTAMIDE C,OtherMutliCpd,Compound,CC(C)CNC(=O)/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2,PAXQNYHJDFKFEU-FIFLTTCUSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
27882198,ZINC18201105,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C3=C(C2=O)[C@H](C4=C(N3)NC(=O)NC4=O)C5=CC=NC6=CC=CC=C56,MEOKHTVBFJQYEF-MRXNPFEDSA-N,Organic compounds,Organoheterocyclic compounds,Pyridopyrimidines,none,Pyridopyrimidines,none,none,none,none,none,none
29979359,S-Equol7-glucuronide,OtherMutliCpd,Compound,C1[C@H](COC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O,XDPLKWRSVXUQBN-LVEHSUOCSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
29981063,Homovanillic acid sulfate,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O,IACOAKYXFIWAQN-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
29986850,cis-Resveratrol 3-O-glucuronide,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,QWSAYEBSTMCFKY-BMPGWQKJSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,Stilbene glycosides,Stilbene glycosides,none,none,none,none,none,none
35027640,20-HETE-EA,OtherMutliCpd,Compound,C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO)CCO,QRMZDMUHHZLRMH-DTLRTWKJSA-N,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Amines,Alkanolamines,1--2-aminoalcohols,N-acylethanolamines,none,none,none,none
36690486,Isobornyl isovalerate,OtherMutliCpd,Compound,CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C,MPYYVGIJHREDBO-SLEUVZQESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
38347773,ZINC31156338,OtherMutliCpd,Compound,CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)CO)O)O,MWEQHAGXLGTSKL-IXUAMECASA-N,none,none,none,none,none,none,none,none,none,none,none
40424401,cis-4-Hydroxyequol,OtherMutliCpd,Compound,C1[C@@H]([C@@H](C2=C(O1)C=C(C=C2)O)O)C3=CC=C(C=C3)O,YOSDNAMJVOLJKI-UKRRQHHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanols,none,none,none,none,none,none
42604622,"7	8	3'	4'-tetrahydroxyisoflavone",OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O)O,VMOBWBRUROXCOO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
42604751,SCHEMBL5480756,OtherMutliCpd,Compound,CC(C1=CC=C(C=C1)O)C(=O)C2=C(C(=C(C=C2)O)O)O,XTSWJTBIEXVATN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Alpha-methyldeoxybenzoin flavonoids,none,Alpha-methyldeoxybenzoin flavonoids,none,none,none,none,none,none
42607465,LysoPE(20:4),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,ROPRRXYVXLDXQO-XSQXPFHXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
42607789,"2	6	3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC2(C(=O)C3=C(O2)C=C(C=C3)O)O)O,HBEFLXKTZCXMQU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Aurone flavonoids,Auronols,Auronols,none,none,none,none,none,none
42607917,Naringin 4'-glucoside,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O,FHXACOPOJBXRQQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
42607935,cajaflavanone,OtherMutliCpd,Compound,CC(=CCC1=C2C(=C3C(=C1O)C(=O)CC(O3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C,TXWYWZHIUMRYOS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,6-prenylated flavans,6-prenylated flavanones,none,none,none,none,none
42607960,"5	7-Dihydroxy-4'-methoxy-8-methylflavanone",OtherMutliCpd,Compound,CC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC)O)O,ZUPNDQXBQBIBPZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
42608010,"5	7	4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate",OtherMutliCpd,Compound,CC(C)C(=O)OC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC,IGCZWOGVHOOOEO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
42608012,"5	7-Dihydroxy-3'	4'-dimethoxy-5'-prenylflavanone",OtherMutliCpd,Compound,CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)OC)C,LMJYCCOYYJEVOW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,3'-prenylated flavans,3'-prenylated flavanones,none,none,none,none,none
42608025,Heteroflavanone C,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3OC)OC)OC)O)O)C,LKUWYFZLCAUAGB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
42608026,Heteroflavanone B,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3OC)OC)OC)O)OC)C,CQHDMUSZBYPHBO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,8-prenylated flavans,8-prenylated flavanones,none,none,none,none,none
42608054,Cerasinone,OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)OC)OC,JVUGHKAZGNYYCA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,5-O-methylated flavonoids,none,none,none,none,none,none
42608055,Heteroflavanone A,OtherMutliCpd,Compound,COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=C(C=C3OC)OC)OC)O,JEXUYOSYJIRTIF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
42608066,5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside,OtherMutliCpd,Compound,COC1=C2C(=O)CC(OC2=CC(=C1)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C5=CC(=C(C=C5)O)O,CEJOKNKJINIMGF-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
42608082,Persiconin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)OC4C(C(C(C(O4)CO)O)O)O)O,NKYUUWHIEOUGKB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
42608098,Carthamidin 5-glucoside,OtherMutliCpd,Compound,C1C(OC2=CC(=C(C(=C2C1=O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)C4=CC=C(C=C4)O,UBFTZAGDGOMJQE-KNHQCOLFSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
42608105,Agamanone,OtherMutliCpd,Compound,COC1=CC(=CC2=C1OCO2)C3CC(=O)C4=C(C(=C(C=C4O3)O)OC)O,OPMVFPLFBRWXER-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
42617977,"lactam-based compound	 12d",OtherMutliCpd,Compound,CC(C)CN1CCC2=C(N(N=C2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl,WRYHYMZLAAULED-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Azoles,Pyrazoles,Phenylpyrazoles,none,none,none,none,none,none
42621273,11-Hydroxyprogesterone 11-glucuronide,OtherMutliCpd,Compound,CC(=O)[C@H]1CCC2[C@@]1(CC(C3C2CCC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C,WVTMNZAPPOMZST-UCMXSJKRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
42622727,"Cholestane-3	7	12	25-tetrol-3-glucuronide",OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1([C@@H](CC3C2C(CC4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C,FHOADKVSESICIH-YQDZQFSMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
44134735,PL001465,OtherMutliCpd,Compound,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)[O-])OC2=O)O.[K+],BGJIAUDTIACQSC-UHFFFAOYSA-M,none,none,none,none,none,none,none,none,none,none,none
44134940,Calcium o-benzosulfimide,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.[Ca+2],MQRKKLAGBPVXCD-UHFFFAOYSA-L,Organic compounds,Organoheterocyclic compounds,Benzothiazoles,none,Benzothiazoles,none,none,none,none,none,none
44135688,No_auto_id,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)S(=O)(=O)[O-])NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],DMAUVYGQRYAMBL-UHFFFAOYSA-L,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
44135716,"C.I. Acid Red 14	 Disodium Salt",OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],OJNIRNOPCQQNRY-UHFFFAOYSA-L,Organic compounds,Benzenoids,Naphthalenes,Naphthalene sulfonic acids and derivatives,Naphthalene sulfonates,1-naphthalene sulfonates,none,none,none,none,none
44135857,94113-57-2,OtherMutliCpd,Compound,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=CC=CC=C3)C2=O)S(=O)(=O)[O-].[Na+].[Na+],MNCUGCKRKXNGQK-UHFFFAOYSA-L,Organic compounds,Benzenoids,Naphthalenes,none,Naphthalenes,none,none,none,none,none,none
44143572,MFA-3,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2C(=O)C4=CC=CC=C4)CC=C5[C@@]3(CCC(=C5)C(=O)OC)C,AGWLVIYLIXLESA-GCUODRBBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androstane steroids,none,none,none,none,none,none
44143625,CHEMBL493179,OtherMutliCpd,Compound,CCOC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)C(C)(C)C)C(=O)O,GJYPNXKSSHMLOC-OAQYLSRUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,none,none,none,none,none
44144452,82028-91-9,OtherMutliCpd,Compound,C1=CC=C2C=C(C=CC2=C1)C(O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Fe+2],WDEHDXOXNPFJST-UHFFFAOYSA-M,Organic compounds,Benzenoids,Naphthalenes,Naphthalenecarboxylic acids and derivatives,Naphthalenecarboxylic acids,none,none,none,none,none,none
44144458,Bis(lactato)magnesium,OtherMutliCpd,Compound,CC(C(=O)[O-])[O-].CC(C(=O)[O-])[O-].[Mg+2],OOAITRUXKXHQKW-UHFFFAOYSA-L,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,Carboxylic acid salts,none,none,none,none,none,none
44144513,No_auto_id,OtherMutliCpd,Compound,C[C@]1(CC[C@H](O1)C(C)(C)O)[C@H]2CC[C@]3(C2[C@H](CC4C3C[C@@H](C5[C@@]4(CCC(C5(C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C,RRFHVLIRGNYYNW-XQGGPRCNSA-N,none,none,none,none,none,none,none,none,none,none,none
44147433,93963-32-7,OtherMutliCpd,Compound,CCOC(=O)C1(CC2CCC1C2)C3=CC=CC=C3,MHLXHLFXWNSRON-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
44149801,3-SF-6-Sglu,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O,FHIJMQWMMZEFBL-HTTQGYFGSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
44151023,3'-Methoxycoumestrol,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O,MQORJFLPGOCLDS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
44159808,Garcinone C,OtherMutliCpd,Compound,CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)O)CCC(C)(C)O)O)C,HLOCLVMUASBDDP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
44176376,Sphingomyelins,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC=O)O,LRYZPFWEZHSTHD-HEFFAWAOSA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44229138,(RS)-norcoclaurinium,OtherMutliCpd,Compound,C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O,WZRCQWQRFZITDX-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,Benzylisoquinolines,Benzylisoquinolines,none,none,none,none,none,none
44234503,SCHEMBL17963704,OtherMutliCpd,Compound,CC(C)OC(=O)C(CC1=CC(=C(C=C1)O)O)O,ZYFWDUKUSGLMGL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
44237242,No_auto_id,OtherMutliCpd,Compound,C1C(C(C(C([NH2+]1)CO)O)O)O,LXBIFEVIBLOUGU-UHFFFAOYSA-O,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
44241258,Bis-coumaramidobutane,OtherMutliCpd,Compound,C1=CC(=CC=C1/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O,PYVBFDCHJDMSMM-FNCQTZNRSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
44243661,CHEMBL1949702,OtherMutliCpd,Compound,COC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)O)OC,KRJGXNAUJLJILU-SNAWJCMRSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
44256839,Peonidin 3-sambubioside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4C(C([C@@H](C(O4)CO)O)O)O[C@H]5[C@@H](C([C@@H](CO5)O)O)O)O,PYUGATAPBPHGFK-PYZAXGDKSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
44256840,Peonidin 3-sophoroside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4C(C([C@@H](C(O4)CO)O)O)O[C@H]5[C@@H](C([C@@H](C(O5)CO)O)O)O)O,GLKWRYCXULXFHP-PRSYSVPESA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
44257206,Glyzarin,OtherMutliCpd,Compound,CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C(=O)C)C3=CC=CC=C3,KTCOGEGNUCOCON-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
44257262,3'-Hydroxy-8-O-methylretusin,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O,YYWSNCLFZSMGCM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,4'-O-methylated isoflavonoids,3'-hydroxy--4'-methoxyisoflavonoids,none,none,none,none,none
44257318,"2	3-Dehydrokievitol",OtherMutliCpd,Compound,C/C(=C\CC1=C(C=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)O)/CO,UFCGXNZEVGKUQA-WTDSWWLTSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
44257320,Cajaisoflavone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C(=C1O)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)OC)O)C,ZCGBVHBPKBFGFW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,6-prenylated isoflavanones,none,none,none,none,none
44257373,"2'	4'	5	7	8-Pentahydroxyisoflavone",OtherMutliCpd,Compound,C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C(=CC(=C3O)O)O,LOLNVJIGYUJCIY-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflav-2-enes,Isoflavones,none,none,none,none,none,none
44257380,5-Deoxykievitone hydrate,OtherMutliCpd,Compound,CC(C)(CCC1=C(C=CC2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)O,BYQKGWSQMLLYGJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
44257381,5-Deoxykievitol,OtherMutliCpd,Compound,C/C(=C\CC1=C(C=CC2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)/CO,VPCRIHAWNUNORJ-BIIKFXOESA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
44257389,4'-O-Methylkievitone,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OCC(C2=O)C3=C(C=C(C=C3)OC)O)O)O)C,UWWHTKLNJDNLDI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,8-prenylated isoflavanones,none,none,none,none,none
44257395,"7	4'-Dihydroxy-5	2'-dimethoxyisoflavanone",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)OC)O,VXWBAOPTFLXYTN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,5-O-methylated isoflavonoids,none,none,none,none,none,none
44257408,12a-Hydroxyerosone,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3=O)C=C5C=COC5=C4)O)OC,SXKFYDWIBCRCRI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Rotenoids,Rotenones,none,none,none,none,none,none
44257429,Medicarpin 3-O-glucoside,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O,PVEMGMOWXQUWRD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257430,Medicarpin 3-O-(6'-malonylgluclside),OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O,BQAJKXKYTQTBDK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257431,Neodunol,OtherMutliCpd,Compound,C1C2C(C3=C(O1)C=C4C(=C3)C=CO4)OC5=C2C=CC(=C5)O,UUDOMPYHVUEXEE-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257449,"(6aR	11aR)-3	8-dihydroxy-9-methoxypterocarpan",OtherMutliCpd,Compound,COC1=C(C=C2C3COC4=C(C3OC2=C1)C=CC(=C4)O)O,FPPWIEZFMZZUPL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257457,4-Hydroxydemethylmedicarpin,OtherMutliCpd,Compound,C1C2C(C3=C(O1)C(=C(C=C3)O)O)OC4=C2C=CC(=C4)O,CLHTZHIBHTWFEM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257458,4-Methoxyhomopterocarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)OC,XLPOISABZDNFQM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257459,Melilotocarpan B,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C3C(CO2)C4=C(O3)C=C(C=C4)O)O,QDFJNOVWEADTGJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257462,Melilotocarpan E,OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)O)OC)O,AHWUIMDBTDTTRI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257468,"3	9-Dihydroxy-1-methoxy-10-prenylpterocarpan",OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC3C2COC4=CC(=CC(=C34)OC)O)O)C,YKTZRMXYANFKQR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257476,Trifolian,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C3C(CO2)C4=CC5=C(C=C4O3)OCO5)O,PCVFSIAOIHIYNK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257481,9-O-Methylglyceofuran,OtherMutliCpd,Compound,CC(C)(C1=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)OC)O)O,XRYDGCQYNMEJEL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257483,glyceollidin I,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OCC3(C2OC4=C3C=CC(=C4)O)O)O)C,NLHMQOCIFRDSNU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257485,6a-Hydroxymedicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3(COC4=C(C3O2)C=CC(=C4)O)O,SXKBOSYKWYQHMV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257486,6a-Hydroxyisomedicarpin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)O)O,MENGTHFLVHDIFW-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257487,6a-Hydroxyinermin,OtherMutliCpd,Compound,C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C42)OCO5)O,GLMPLZUBQDAZEN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257491,Lathycarpin,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O)OC,OPUNZSMLSXSMJN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Furanoisoflavonoids,Pterocarpans,none,none,none,none,none,none
44257507,2'-O-Methylphaseollidinisoflavan,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC(=C1OC)C2CC3=C(C=C(C=C3)O)OC2)O)C,ZEJRFMCOSHZBRD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,2'-O-methylated isoflavonoids,none,none,none,none,none,none
44257530,Phaseol,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O)C,FRXPSBUCIWPZMH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
44257533,"7	10	12-Trihydroxycoumestan",OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC(=O)C3=C2OC4=CC(=CC(=C43)O)O,CFUAZBGEKBTCSH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Coumestans,Coumestans,none,none,none,none,none,none
44257538,"1	2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2	3-h][1]benzopyran-8-one",OtherMutliCpd,Compound,CC(C)C(=O)C1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(=O)C=C2C4=CC=CC=C4)O,KYQBNYMPQRSMLV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Neoflavonoids,Prenylated neoflavonoids,Prenylated neoflavonoids,none,none,none,none,none,none
44257580,Rubraflavone B,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC1=C(OC2=C(C1=O)C=CC(=C2CC=C(C)C)O)C3=C(C=C(C=C3)O)O)/C)C,HCSUUBNHCMBDJW-KEBDBYFISA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
44257590,"8	3'-Dihydroxy-7	4'	5'-trimethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)O)O,RHXKHTYRDAJUEZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
44257591,"3'-Hydroxy-7	8	4'	5'-tetramethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)O)OC,LCFAQXHDTREUOX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,8-O-methylated flavonoids,none,none,none,none,none,none
44257595,Zapotinin,OtherMutliCpd,Compound,COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3O)OC,BFXYIQRRGIMMSR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
44257599,"3'	5	6-Trimethoxyflavone",OtherMutliCpd,Compound,COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)OC)OC,XRARMLJTDKCRRO-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,6-O-methylated flavonoids,none,none,none,none,none,none
44257640,Strobochrysin-dimethylether,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1OC)C(=O)C=C(O2)C3=CC=CC=C3)OC,LDGCKWYSZUGWHS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
44257865,Honyucitrin,OtherMutliCpd,Compound,CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C,DOFKPAVSYGZVQD-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3'-prenylated flavones,none,none,none,none,none,none
44258152,Luteolin 4'-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OS(=O)(=O)O,MCJCSFGCQMESFL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavones,none,none,none,none,none,none
44258291,LMPK12110897,OtherMutliCpd,Compound,CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)OC)C3=C(C=C(C=C3)O)O)C,CTCHDPAJHVDPRN-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
44258295,Kuwanon B,OtherMutliCpd,Compound,CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C,GHYDRKXFHRBWGZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
44258296,Kuwanon A,OtherMutliCpd,Compound,CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C,DBUNRZUFILGKHP-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,3-prenylated flavones,none,none,none,none,none,none
44258301,Cycloaltilisin,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=CC(=C(C=C43)O)OC)C=C(C)C)O)O)C,RVJOJRVPGYKMQS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
44258302,cycloartocarpin A,OtherMutliCpd,Compound,CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)OC)OC3C=C(C)C)O,FUOITKFXHPXSCA-SOFGYWHQSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
44258358,Artonin U,OtherMutliCpd,Compound,CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC)C,BSZYNZDGUZYMDL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,8-prenylated flavones,none,none,none,none,none,none
44258359,8-Demethylsideroxylin,OtherMutliCpd,Compound,CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC,VQCXCCMCKDSXMQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,7-O-methylated flavonoids,none,none,none,none,none,none
44258588,Takakin,OtherMutliCpd,Compound,COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O,FIYPYRNWAKRRIU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,4'-O-methylated flavonoids,none,none,none,none,none,none
44258662,Artonin L,OtherMutliCpd,Compound,CC1(C2CC3=C(C4=C2C(=C(C=C4OC)O)O1)OC5=CC(=CC(=C5C3=O)O)OC)C,LDQNIBPJKBVZEF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
44258663,Artonin J,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C3C(CC4=C2OC5=CC(=CC(=C5C4=O)O)O)C(OC3=C1O)(C)C)O)C,WQIPFMCXBWXUAV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
44258664,Artonin T,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C3C(CC4=C2OC5=CC(=CC(=C5C4=O)O)OC)C(OC3=C1O)(C)C)O)C,WGHQJSXSGKUCQL-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
44258671,Oxyisocyclointegrin,OtherMutliCpd,Compound,CC(C)(C1CC2=C(C3=C(O1)C=C(C=C3)O)OC4=CC(=CC(=C4C2=O)O)OC)O,CLBXZXANZHXYLN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzoxepines,none,Benzoxepines,none,none,none,none,none,none
44258672,Cyclointegrin,OtherMutliCpd,Compound,CC1(CCC2=C(C3=C(O1)C=C(C=C3)O)OC4=CC(=CC(=C4C2=O)O)OC)C,LRBWGBCDUCRXLG-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Chromones,none,none,none,none,none,none
44258710,Sylpin,OtherMutliCpd,Compound,CC1=CC(=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O,BUWDKAOCACVEON-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3-O-methylated flavonoids,none,none,none,none,none,none
44258711,"3	5	8	3'	4'	5'-Hexahydroxyflavone",OtherMutliCpd,Compound,C1=CC(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)O)O,JGTKWAPKKUUANC-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
44259051,citrusinol,OtherMutliCpd,Compound,CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)C,OKQQXHUICMLKQI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Pyranoflavonoids,Pyranoflavonoids,none,none,none,none,none,none
44259208,LMPK12112160,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)OC6C(C(C(C(O6)CO)O)O)O)C7=CC(=C(C=C7)O)O)CO)O)O)CO)O)O)O,CBQWFAOISQNPIK-XVNBXDOJSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
44259363,Isorhamnetin 3-(2G-apiosylrutinoside),OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)OC6C(C(CO6)(CO)O)O)O)O)O)O)O,IMRLHOSTHAEDEL-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
44259786,Patuletin 3-glucosyl-(1->6)[apiosyl-(1->2)-glucoside],OtherMutliCpd,Compound,COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(CO6)(CO)O)O)O,IQBTXBIIGNASBG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
44259873,"5	4'-Dihydroxy-3	3'-dimethoxy-6	7-methylenedioxyflavone",OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC)O,QDUQFPNXGXDSQJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3-O-methylated flavonoids,none,none,none,none,none,none
44259965,Pollenitin,OtherMutliCpd,Compound,COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O,VRODWQGSCHPDJK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
44260065,8-Hydroxyquercetagetin,OtherMutliCpd,Compound,C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)O)O)O)O)O)O,IVVIBMKOLWEERH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavones,Flavonols,none,none,none,none,none,none
44260110,"2'	4'-Dihydroxy-5	6-dimethoxy-2-phenylbenzofuran",OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)O)OC,TTWXNRBRBJPLQH-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,2-arylbenzofuran flavonoids,none,2-arylbenzofuran flavonoids,none,none,none,none,none,none
44260122,sphinganine-1-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O,GSEOJHIBPQRSNH-XZOQPEGZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260123,N-(dodecanoyl)-sphing-4-enine-1-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O,HZCLJRFPXMKWHR-FEBLJDHQSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260124,C20 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,AADLTHQNYQJHQV-SVLGDMRNSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260125,C22 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,FJJANLYCZUNFSE-TWKUQIQBSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260126,C24:1 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,WKZHECFHXLTOLJ-QYKFWSDSSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260128,C26:1 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O,YXEXWUZHFGYOHJ-UOJCCMJYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260130,C18DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O,JCELSEVNSMXGKA-IOLBBIBUSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260131,C20DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O,UGRZESKDAPEULH-ACEXITHZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260132,C22DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O,FONAXCRWZQFJHY-JCGOJSMZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260133,C24:1DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,XZBDYCJQWJNNJB-CFLZVKAOSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260134,C24DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O,SMJLGESYPKPRNU-CRCOQUFZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260138,C14DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O,MJAFYELZQYPMQG-MPQUPPDSSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44260139,C18:1DH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O,XYLWKHKCYHMVMA-RVPJYPCXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
44263339,"11b	21-Dihydroxy-5b-pregnane-3	20-dione",OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4C(=O)CO)C)O,CTTOFMJLOGMZRN-MGXYISIMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
44263342,HMDB04031,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@H]4C(=O)O)C)O,XEFVQCSDIKHROY-CAPFDLLWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
44263343,18-hydroxycortisol,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)CO)O,HESFZGWRDUVOMS-FJNAKSJRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
44263344,18-oxocortisol,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C=O)O,XUQWWIFROYJHCU-FJNAKSJRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
44263345,"21-Hydroxy-5b-pregnane-3	11	20-trione",OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4C(=O)CO)C,ZDUVZJUTJOBJHS-HNEBDTNWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
44263347,"3a	21-Dihydroxy-5b-pregnane-11	20-dione",OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4C(=O)CO)C)O,XWYBFXIUISNTQG-XPYNSANSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
44263360,"15-Hydroxynorandrostene-3	17-dione glucuronide",OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35,ADQUXZRKOKKULD-CZOXBATISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
44263365,Dihydrotestosterone glucuronide,OtherMutliCpd,Compound,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C,CLQMBSSRTBUNDV-CPKOJWPQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
44263374,HMDB02486,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)S(=O)(=O)O)C)O)O)C,IJHJZQKOSUFQCX-WZJRQFJBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
44263376,"3a	7b	12a-Trihydroxyoxocholanyl-Glycine",OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,RFDAIACWWDREDC-IFZPJRIXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
44297818,1-O-beta-D-Glucopyranosylaloeemodin,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)OC4C(C(C(C(O4)CO)O)O)O,SJFGNHVZJUSQBX-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
44333108,Wasalexin A,OtherMutliCpd,Compound,CON1C2=CC=CC=C2/C(=C\N=C(SC)SC)/C1=O,JJQPWCPYNJNWID-CSKARUKUSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,none,Indoles and derivatives,none,none,none,none,none,none
44338426,Chavicol O-beta-glucopyranoside,OtherMutliCpd,Compound,C=CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O,BGWWYZXBGAKMRB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
44348689,SCHEMBL12027477,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O,QOZFCKXEVSGWGS-JNYWYMJGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
44358113,17a-estriol,OtherMutliCpd,Compound,C[C@]12CCC3C(C1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O,PROQIPRRNZUXQM-MAHASAQBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
44389277,CHEMBL360899,OtherMutliCpd,Compound,C1CC(=O)OC1CC2=CC(=C(C(=C2)O)O)O,CZVAQLJEUUFQCH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenetriols and derivatives,Pyrogallols and derivatives,none,none,none,none,none,none
44396085,CHEMBL187247,OtherMutliCpd,Compound,CC(=CCC/C(=C\CC1=C(C=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O)/C)C,PCKHKINJZFNYEO-UVTDQMKNSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
44422842,2-eicsoate,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CO)CO,JCKNHZDBFKYTQU-LTKCOYKYSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
44453654,Piperundecalidine,OtherMutliCpd,Compound,C1CCN(CC1)C(=O)/C=C/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3,BADLEYLQAILHPV-AZMZBSBOSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
44546134,Mammea B/AC,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CCC)O,HDHKEYMZRICGLG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
44546135,38537-82-5,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C3=C2CC(O3)C(C)(C)O)C(=O)CCC)O,AHRWRZGWPYCGMI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
44559173,Corchorifatty acid F,OtherMutliCpd,Compound,CC/C=C\CC(C(/C=C/C(CCCCCCCC(=O)O)O)O)O,MKYUCBXUUSZMQB-MKZMYESJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
44559765,pergillin,OtherMutliCpd,Compound,CC(=C1C(=O)C2=C(O1)C3=C(CC(OC3)(C)O)C=C2)C,MKXDAWJZYZIEIP-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,2-benzopyrans,2-benzopyrans,none,none,none,none,none,none
44572330,"3	5-Dimethoxyphenanthrene-2	7-diol",OtherMutliCpd,Compound,COC1=C2C(=CC(=C1)O)C=CC3=CC(=C(C=C32)OC)O,YKFWCNBTQYCJQV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
44575387,alloathyriol,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O,CLZONBOPXUGYNY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,none,none,none,none
44575468,CHEMBL470127,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC1=CC(=CC=C1)O,BIEZSEGUHJMPKG-FPLPWBNLSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-4-unsubstituted benzenoids,1-hydroxy-4-unsubstituted benzenoids,none,none,none,none,none,none
44575537,clusin,OtherMutliCpd,Compound,COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4,SOCNBZCAGNYAED-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,9--9'-epoxylignans,Dibenzylbutyrolactols,none,none,none,none,none
44584048,isopersin,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(CO)OC(=O)C,ZAIRPZJGPNIHRZ-NQLNTKRDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
44612156,SCHEMBL1427164,OtherMutliCpd,Compound,CCCCCC(=O)CC/C=C/CCCCCCCC(=O)O,LDYZTLZOFONHNA-VQHVLOKHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
44631480,Punigluconin,OtherMutliCpd,Compound,C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C(=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O,KZEYIYXACMUTRM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Tannins,Hydrolyzable tannins,Hydrolyzable tannins,none,none,none,none,none,none
44715854,NP-014291,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O,XEFNBVWDOQCMSG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
44725717,Dihydrocortison,OtherMutliCpd,Compound,C[C@]12CC[C@H](CC1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O)O,AODPIQQILQLWGS-OBRSLYEHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
44889973,Moreollin,OtherMutliCpd,Compound,CCOC1C2CC3C(OC(C2=O)(C34C1C(=O)C5=C(C6=C(C(=C5O4)CC=C(C)C)OC(C=C6)(C)C)O)C/C=C(/C)\C=O)(C)C,IKFKEJSONUWRCD-UNOMPAQXSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
45083652,"1H-Pyrrolizine-7-carboxaldehyde	2	3-dihydro-5-methyl-",OtherMutliCpd,Compound,CC1=CC(=C2N1CCC2)C=O,LNXCMFJNJNUFNW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
45116142,97073-08-0,OtherMutliCpd,Compound,CCC(=O)C1=C(C=C2N1CCC2)C,GYZWTVCWHXRANZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
45266564,2-trans-Dodecenoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,IRFYVBULXZMEDE-DEEZISNZSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
45269778,O-Demethylforbexanthone,OtherMutliCpd,Compound,CC1(C=CC2=C(O1)C(=C3C(=C2)C(=O)C4=C(C=C(C=C4O3)O)O)O)C,WBKWHYDUDXOZIU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,Pyranoxanthones,none,none,none
45357453,Tridecanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCC(=O)NCC(=O)O,BTHNNPTZHGZNAO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
45357456,Tricosanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O,RDUKYODUVJPRLK-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
45359500,Zearalenone 4-sulfate,OtherMutliCpd,Compound,CC1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)OS(=O)(=O)O,GQAJNGUAQKYPCH-XVNBXDOJSA-N,Organic compounds,Phenylpropanoids and polyketides,Macrolides and analogues,Zearalenones,Zearalenones,none,none,none,none,none,none
45360032,Avocadene 2-acetate,OtherMutliCpd,Compound,CC(=O)OC(CC(CCCCCCCCCCCC=C)O)CO,LUIGTZGBXWZJAX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
45360052,Liquiritin apioside,OtherMutliCpd,Compound,C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O,FTVKHUHJWDMWIR-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,none,none,none,none,none,none
45360076,Avocadene 4-acetate,OtherMutliCpd,Compound,CC(=O)OC(CCCCCCCCCCCC=C)CC(CO)O,MFLWBVVCOWPUBA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
45360149,MolPort-005-945-617,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)CO)O)O)O)O)O,AOXGLIJSZLOQNZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,Flavonoid 8-C-glycosides,none,none,none,none,none
45360303,Lablaboside A,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O,VLPIKCMVDFDYQR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
45360331,MolPort-005-945-914,OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)O,IBLFDTIZHJLTIF-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
45360332,MolPort-005-945-915,OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)O)OC2C(C(C(C(O2)CO)O)O)O,JYWSARFDLXXOHT-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
45360335,Verimol B,OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)OC)O,PCUOEOPTDCUNQQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
45360336,Verimol A,OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)O)OC(=O)C2=CC=C(C=C2)OC,MHJLKHNHGMUAPQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Methoxybenzoic acids and derivatives,P-methoxybenzoic acids and derivatives,none,none,none,none,none
45360337,NP-014911,OtherMutliCpd,Compound,CC(C(C1=CC=C(C=C1)OC)OC(C)C(C2=CC=C(C=C2)OC)O)O,TXTILWZRXPOUKA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
45479706,Tetrahydrofolyl-[Glu](n),OtherMutliCpd,Compound,C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,RXWVHRYZTWZATH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pteridines and derivatives,Pterins and derivatives,Tetrahydropteroic acids and derivatives,Tetrahydrofolic acids and derivatives,none,none,none,none,none
45782784,NP-013381,OtherMutliCpd,Compound,COC(=O)CC1(C2=C(C=CC(=C2)O)NC1=O)O,YPPHXVJCTQPTBV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
45782816,245084-07-5,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,NHEBJNCJBWUPCK-ZFORQUDYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
45782894,Glycitein 7-O-glucuronide,OtherMutliCpd,Compound,COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,HVZUFDAWJOXFQU-SXFAUFNYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
45782986,Avocadyne 4-acetate,OtherMutliCpd,Compound,CC(=O)OC(CCCCCCCCCCCC#C)CC(CO)O,FHGZOCAZNHYWAL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
45783092,MolPort-019-937-262,OtherMutliCpd,Compound,CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C(=O)OC8C(C(C(C(O8)COC9C(C(C(CO9)O)O)O)O)O)O)C,NWNUTSZTAUGIGA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
45783109,MolPort-006-668-549,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C,PXGJYJGHNZFNDH-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
45783180,(4E)-7-(4-HYDROXYPHENYL)-1-PHENYLHEPT-4-EN-3-ONE,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O,VPCHZECKYCDVSA-WEVVVXLNSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Linear diarylheptanoids,none,none,none,none,none,none
46173176,trans-2-Hexadecenoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,JUPAQFRKPHPXLD-MSHHSVQMSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
46173376,feruloylagmatine,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCN=C(N)N)O,UBMDAKWARMURDL-FNORWQNLSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
46173828,AK-toxin I,OtherMutliCpd,Compound,CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C2(CO2)C)NC(=O)C,HGSOUJPIFSDBKJ-OUYMFVGOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,none,none,none,none
46173958,Cinnamtannin D1,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@@H]6[C@H]([C@@](OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,BYSRPHRKESMCPO-HMQYECKYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
46173959,Cinnamtannin D2,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@@H]6[C@H]([C@](OC5=CC(=C34)O)(OC7=C6C(=CC(=C7[C@@H]8[C@H]([C@H](OC9=CC(=CC(=C89)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O,QRQAODSINXAOBF-BITWWPEZSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
46174086,Gadofosveset (INN),Drug,Compound,[H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3],ZSDLYSDDELEVDD-UHFFFAOYSA-K,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Pentacarboxylic acids and derivatives,Pentacarboxylic acids and derivatives,none,none,none,none,none,none
46182787,"8	8'-Methylenebiscatechin",OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2CC3=C(C=C(C4=C3O[C@@H]([C@H](C4)O)C5=CC(=C(C=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,KATSZCAOGZFWJD-QUAHOIDUSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
46779070,S-Methyl 4-methylpentanethioate,OtherMutliCpd,Compound,CC(C)CCC(=O)SC,JOCKEOCKSBOIQA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Fatty acyl thioesters,none,none,none,none,none,none
46856263,25006-35-3,OtherMutliCpd,Compound,CNCC(C1=CC=C(C=C1)O)OC,LVZUJPSBCGHXGZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzylethers,Benzylethers,none,none,none,none,none,none
46874582,arabinosylhypoxanthine,OtherMutliCpd,Compound,C1=NC(=O)C2=C(N1)N(C=N2)C3[C@H]([C@@H]([C@H](O3)CO)O)O,UGQMRVRMYYASKQ-KBNQYOMWSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleosides,none,Purine nucleosides,none,none,none,none,none,none
46879024,1-pentadecanoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)O,QSKPZDMBULYMDQ-KRWDZBQOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
46881084,cicerin,OtherMutliCpd,Compound,COC1=CC2=C(C=C1C3COC4=CC(=CC(=C4C3=O)O)O)OCO2,MNXNLFUKHPLPES-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,2'-O-methylated isoflavonoids,none,none,none,none,none,none
46891684,Milk SM,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O,SXZWBNWTCVLZJN-NMIJJABPSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
46891812,UNII-DVY07ILF1W,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RJCZACBLQGCNCW-MCEXTTDUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
46906714,CHEMBL1163242,OtherMutliCpd,Compound,COC1=CC(=C(C=C1/C=C\C=O)OC)OC,DNAVOCNYHNNEQI-PLNGDYQASA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamaldehydes,none,Cinnamaldehydes,none,none,none,none,none,none
49770696,"(Z)-3-[2-(carboxymethyl)-3	4-dihydroxy-phenyl]prop-2-enoic acid",OtherMutliCpd,Compound,C1=CC(=C(C(=C1/C=C\C(=O)O)CC(=O)O)O)O,KUONJHGPPAGOFL-RQOWECAXSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids,none,none,none,none,none,none
49786976,PE(14:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN,AUSLLMXXJBCZGL-PGUFJCEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
49831816,"5-(3	4-dihydroxyphenyl)pentanoic acid",OtherMutliCpd,Compound,C1=CC(=C(C=C1CCCCC(=O)O)O)O,KTDWBJGUMIZRHU-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
49844181,Dihydrocaffeic acid 3-sulfate,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCC(=O)O)OS(=O)(=O)O)O,MIMULQQHBAZGER-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Organic sulfuric acids and derivatives,Arylsulfates,Phenylsulfates,none,none,none,none,none,none
49844484,1065272-10-7,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,SHJZLGVIOYFHCB-MBAOVNHDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
49844972,1187945-71-6,OtherMutliCpd,Compound,C1=CC(=C(C=C1CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O,AELQNMHOLDHBFA-DKBOKBLXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
49859598,HMDB13472,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC,ONJBJMDJKLHMEK-MPQUPPDSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerophosphates,Phosphatidylglycerophosphates,none,none,none,none,none,none
49859651,HMDB13504,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,UZNYMWWMHBZMLI-IOLBBIBUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerophosphates,Phosphatidylglycerophosphates,none,none,none,none,none,none
50908588,Mammea E/BB,OtherMutliCpd,Compound,CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)OC(=O)C)O)CC=C(C)C)O,CIJFRPODNXMJFU-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
50925563,Hericene A,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CCC=C(C)C)OC,PLUINHYLFTYIKB-BYNJWEBRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
50990062,4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol,OtherMutliCpd,Compound,C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CCC4[C@H](C)CCCC(C)C)C)C)O,LMYZQUNLYGJIHI-DOQVYVCQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
50990081,"4	4-dimethyl-5a-cholesta-8	24-dien-3-b-ol",OtherMutliCpd,Compound,C[C@H](CCC=C(C)C)C1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C,CHGIKSSZNBCNDW-GKBRUXRCSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
51017057,Nummularine B,OtherMutliCpd,Compound,CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C/C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)NC,ZAVCUVYFGQXSRX-FYWRMAATSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
51029223,Amphibine H,OtherMutliCpd,Compound,CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C/C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)N(C)C,KLYKBXVHBJWDJF-JQIJEIRASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
51136360,Naringenin 7-O-beta-D-glucuronide,OtherMutliCpd,Compound,C1C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O,BDCRTIDKZGEVEN-DNPGXZAYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
51136538,NP-016922,OtherMutliCpd,Compound,CC(=O)/C=C/C1(C(CC(CC1(C)O)O)(C)C)O,QASOACWKTAXFSE-AATRIKPKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
51136563,Annosquamosin B,OtherMutliCpd,Compound,CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)O,NICDFCNOCPZHTJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Kaurane diterpenoids,none,none,none,none,none,none
51349869,CHEMBL2334419,OtherMutliCpd,Compound,CC(=CCC/C(=C/COC1=CC=C(C=C1)/C=C/C(=O)OC)/C)C,KSSYIBXTLHIBBX-OZZAOFPBSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
51352076,[10]-Paradol,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC,XNBUKRQGYHYOOP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Paradols,none,none,none,none,none,none
52224362,"15-epi-LXA(	4)",OtherMutliCpd,Compound,CCCCC[C@H](/C=C/C=C\C=C\C=C\[C@H]([C@@H](CCCC(=O)O)O)O)O,IXAQOQZEOGMIQS-BZIKWXEGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,Lipoxins,none,none,none,none,none
52920332,"4-hydroxy-5-(3	4-dihydroxyphenyl)valeric acid",OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(CCC(=O)O)O)O)O,JDBYFCLHVYVXCX-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,none,none,none,none,none,none
52920453,SCHEMBL17938770,OtherMutliCpd,Compound,C1CC(=O)OC1CC2=CC(=CC(=C2)O)O,WAKFBGOXOFLZLZ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Resorcinols,none,none,none,none,none,none
52921800,Tetracosatetraenoic acid (24:4n-6),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,MMJZTSLHOIGZPU-DOFZRALJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
52921801,24:5 (n-3),OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,NPTIBOCVSPURCS-JLNKQSITSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Very long-chain fatty acids,none,none,none,none,none,none
52922033,"CoA(18:4(6Z	9Z	12Z	15Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,DDHCSALWDPRVCN-PIYOKYFNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
52922050,Timnodonyl CoA,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,JWZLRYCDDXHXDL-BCYDWBPESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
52922302,PC(15:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,NRUYJKRRJLLXGF-PGUFJCEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52922322,PC(15:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,OUQNLKQTFDIKCN-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52922334,PC(15:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,QIDZFMDALJEYDR-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52922645,PC(18:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,FHENRYRLCPXONH-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52923055,PC(20:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,RMPXTQDWTSBVHI-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52923439,PC(22:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,AAQYYLOZSPSSEX-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52923443,PC(22:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,OPUHJIZEYAXETG-USYZEHPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52923465,PC(22:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,BBKWJNNMTSKJKD-QSCHNALKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
52924172,PE(15:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN,IXKGMCOCPZEZER-RRHRGVEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924324,PE(18:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC,CBJZKZNOFISZSC-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924526,PE(20:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC,OUNAKUJUDICZMA-KXQOOQHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924656,"PE(20:4(5Z	8Z	11Z	14Z)/20:5(5Z	8Z	11Z	14Z	17Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XFOUDFBTMPRKPL-KXHFAWCQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924662,"PE(20:4(5Z	8Z	11Z	14Z)/22:6(4Z	7Z	10Z	13Z	16Z	19Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KXAGMEXWNHUIQR-OOPACUNWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924685,"PE(20:5(5Z	8Z	11Z	14Z	17Z)/20:4(5Z	8Z	11Z	14Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN,YBLJOKQNMMQIEJ-VXRYDXQSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924686,"PE(20:5(5Z	8Z	11Z	14Z	17Z)/20:5(5Z	8Z	11Z	14Z	17Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IHTIZXOEIOXSDI-WDNLGUKOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924718,PE(22:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC,OHUXILVCUSQMMW-RRHRGVEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924720,PE(22:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,ROHWNPKNKQZUFL-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924731,PE(22:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,LZFSWTJTQZYTPD-WBVITSLISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924855,"PE(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/20:4(5Z	8Z	11Z	14Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN,ZEMOTHAYXPPBGC-MDRPQKQBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924856,"PE(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/20:5(5Z	8Z	11Z	14Z	17Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN,CTRNDOXRTRKMSK-WSJZVKEESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924863,PE(22:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,KKQBKDXCGPLXFR-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924864,PE(22:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,BKBDQKWNZFNSMN-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924872,"PE(20:5(5Z	8Z	11Z	14Z	17Z)/22:6(4Z	7Z	10Z	13Z	16Z	19Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZAJJKMUFMHJZRS-CQMCVGQOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924874,"PE(20:4(5Z	8Z	11Z	14Z)/20:4(5Z	8Z	11Z	14Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JTERLNYVBOZRHI-PPBJBQABSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924879,81123-32-2,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,KPHQJKTZXVNUHH-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924880,PE(20:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,UEDZCHGCEKMYMD-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924881,PE(20:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,VRXSSVHPKVWXGZ-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924926,PE(16:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC,JMDKMIIPLXAHQG-UUWRZZSWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924930,PE(15:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN,OZKFXEPRCADVOK-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924933,PE(15:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN,DCIHLTIBNFDPMW-UUWRZZSWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924937,PE(14:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN,RUGZHLOPROZNNS-LDLOPFEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52924940,PE(14:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN,LCJFVEQXGBUSEF-DIPNUNPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
52925131,LPE(20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,HEQMDGOBDIGJOC-XMMPIXPASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925132,"LPE(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)O,XEVRBOQZSXWGQO-PAUXXPOVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925136,"PE(18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,QULMFYLWLOKODU-CSLWLMPESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925137,"PE(18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,WPGYUFCFBKWCSL-JVBHARQXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925144,1-docosanoyl-glycero-3-phosphoethanolamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,NYSQCLMCGRAJJQ-AREMUKBSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925146,"PE(20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,KCWGBXXAJHVZNN-KOYQJJOGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925150,1-pentadecanoyl-glycero-3-phosphoethanolamine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,FGHPDPYCRTXYNZ-LJQANCHMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
52925997,PS(18:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC,WZFUPCSEUKNOBF-AARKOHAPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52926014,PS(16:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N,UYGORIHCWHGAJE-AARKOHAPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52926035,PS(14:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N,RVGPYZRIGMTXEE-GPOMZPHUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52926069,PS(18:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N,NTHGOQRMMGSVMQ-ZFESHMOZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52926077,PS(16:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC,IXMLPLRKGNKFMP-SAIUNTKASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52926086,PS(18:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC,FMJXBRZFHKZLFQ-GPOMZPHUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52926089,PS(14:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N,CMEYODOSAQTQFO-SAIUNTKASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoserines,Phosphatidylserines,none,none,none,none,none,none
52927153,PG(18:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,WYVBOKLMHDFYQD-QPPIDDCLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerols,Phosphatidylglycerols,none,none,none,none,none,none
52929644,PA(O-16:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)O,BIMPCBJDAYKNLD-PSXMRANNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,1-alkyl--2-acylglycerophosphates,none,none,none,none,none,none
52931115,Cer(d18:1/23:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,NAJHAHQNQCNWOP-PUYNVXOJSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
52931202,SM(d16:1/24:1(15Z)),OtherMutliCpd,Compound,CCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,FOULCGVQZYQEQM-DNXGLLHMSA-O,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,Phosphocholines,none,none,none,none,none
52931203,N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O,VBFKEZGCUWHGSK-ADSSWVSQSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
52931208,HMDB11696,OtherMutliCpd,Compound,CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,POQOEIGODOXWFL-HIMVLHDZSA-O,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,Phosphocholines,none,none,none,none,none
52931214,SM(d17:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCC)O,NBEKBSIOEMQZTN-NMIJJABPSA-O,Organic compounds,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,Cholines,Phosphocholines,none,none,none,none,none
52931224,HMDB11699,OtherMutliCpd,Compound,CCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O,BJXQFQDUJVIUAH-XSFBYAMLSA-O,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
52941222,"3'	4'	7-Trihydroxyisoflavan",OtherMutliCpd,Compound,C1C(COC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O,BXUZHRKORIBRMQ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanols,none,none,none,none,none,none
53239702,CHEBI:62336,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O,CRTJRHPGCOAOQC-LXLNFFGNSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
53396783,Austalide J,OtherMutliCpd,Compound,CC1=C2C(=C(C3=C1COC3=O)OC)CC4C5(CCC(=O)OC(C5(CCC4(O2)C)O)(C)C)C,GEOMINBWFXSCOW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,none,none,none,none,none
53398699,A837169,OtherMutliCpd,Compound,CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O)O,ZMOZJTDOTOZVRT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavonoid O-glycosides,Isoflavonoid O-glycosides,none,none,none,none,none,none
53398725,No_auto_id,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)O)O)O)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O,BXEZTCOKOLHMKY-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-5-O-glycosides,none,none,none,none
53399223,Jujuboside A1,OtherMutliCpd,Compound,CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)O)O,KVKRFLVYJLIZFD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
53423642,"2	4-Difurfurylfuran",OtherMutliCpd,Compound,C1=COC(=C1)CC2=CC(=CO2)CC3=CC=CO3,MLLNFQCJOXJITQ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
53461967,Armillaric acid,OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4C3CC(C4)(C)C)C(=O)O)O)C)O)O,AOCKXACXCVTXBB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
53462009,"1-(4-HYDROXY-3	5-DIMETHOXYPHENYL)-7-(4-HYDROXY-3-METHOXYPHENYL)HEPTANE-3	5-DIOL",OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)OC)CCC(CC(CCC2=CC(=C(C=C2)O)OC)O)O,UEKHBUNMFZUBFK-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
53462068,Esculentoside E,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O,UERRXLUEVHKNBY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
53462148,SCHEMBL15543702,OtherMutliCpd,Compound,COC1=CC(=CC(=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O,MIEZPHMCERQLMT-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
53462251,"3	4	5-trihydroxyoxan-2-yl 3	4-dihydroxybenzoate",OtherMutliCpd,Compound,C1C(C(C(C(O1)OC(=O)C2=CC(=C(C=C2)O)O)O)O)O,VWQASRWQZBVNEI-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Benzoic acid esters,p-Hydroxybenzoic acid esters,p-Hydroxybenzoic acid alkyl esters,none,none,none,none
53462326,"3-formyl-2a-hydroxy-6	6	7b-trimethyl-1H	2H	2aH	4aH	5H	6H	7H	7aH	7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate",OtherMutliCpd,Compound,CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4C3CC(C4)(C)C)C=O)O)C)O)OC,ISKWRTCZWOXOOF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Illudanes and illudins,Melleolides and analogues,none,none,none,none,none
53462368,"6-(2-methoxyethyl)-2	5	7-trimethyl-2	3-dihydro-1H-inden-1-one",OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C1=O)C)CCOC)C,YGMHYALYIOLFQS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
53462441,29010-56-8,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)COC4C(C(C(C(O4)CO)O)O)O)O,ASQHVCDULHERIH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,Anthraquinones,Anthraquinones,none,none,none,none,none,none
53462478,Pteroside P,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C1=O)C)CCOC3C(C(C(C(O3)CO)O)O)O)CO,MTMPFCKKJBWSKK-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
53462519,(S)-Pterosin P,OtherMutliCpd,Compound,CC1CC2=CC(=C(C(=C2C1=O)C)CCO)CO,QDZJDGJEGHSXFF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Indanes,Indanones,Indanones,none,none,none,none,none,none
53462649,Physalolactone B,OtherMutliCpd,Compound,CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC(=O)C)C)C)O)C,ANGCIHCSPJLGME-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
53462673,7-Hydroxyaloin B,OtherMutliCpd,Compound,C1=CC(=C(C2=C1C(C3=CC(=CC(=C3C2=O)O)CO)C4C(C(C(C(O4)CO)O)O)O)O)O,HKKOALUTOMGGMT-UHFFFAOYSA-N,Organic compounds,Benzenoids,Anthracenes,none,Anthracenes,none,none,none,none,none,none
53462696,8'-Episesaminone,OtherMutliCpd,Compound,C1C(C(C(O1)C2=CC3=C(C=C2)OCO3)CO)C(=O)C4=CC5=C(C=C4)OCO5,RZIWMSJDPYUACC-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Furanoid lignans,Tetrahydrofuran lignans,7--9'-epoxylignans,none,none,none,none,none,none
53462879,FT-0698262,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC,LWYAMIUSVGPFKS-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
53463009,Hebevinoside III,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1C(CC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(CO5)O)O)O)O)C)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O,ZSGIZQTTWRMUOQ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,Cucurbitacin glycosides,none,none,none,none,none
53463026,"16'	19'-dihydroxy-5	7'	9'	13'-tetramethyl-5'-oxaspiro[oxane-2	6'-pentacyclo[10.8.0.0;{2	9}.0;{4	8}.0;{13	18}]icosane]-15'-one",OtherMutliCpd,Compound,CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(=O)C(C6)O)C)O)C)C)OC1,BTSHHJQHTVNSLW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
53463045,Betavulgaroside IV,OtherMutliCpd,Compound,CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C,FHMLSFRFOXEUGU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene glycosides,Triterpene glycosides,Triterpene saponins,none,none,none,none,none
53463124,Hebevinoside VI,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1C(CC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(CO5)O)O)O)O)C)C)C)OC6C(C(C(C(O6)CO)O)O)O,MPXQWAXHGMPSTR-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,Cucurbitacin glycosides,none,none,none,none,none
53463127,Hebevinoside IV,OtherMutliCpd,Compound,CC(CCC=C(C)C)C1C(CC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(CO5)O)O)O)OC)C)C)C)O,AKDNVAKNWZMAKY-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal saponins,Cucurbitacin glycosides,none,none,none,none,none
53463161,"methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4	6-dioxo-dodecahydro-1H-naphtho[2	1-c]pyran-7-carboxylate",OtherMutliCpd,Compound,CC12CC(OC(=O)C1CC(=O)C3C2CC(CC3C(=O)OC)O)C4=COC=C4,LPHWMSVPEOJPHG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
53463366,Momilactone C,OtherMutliCpd,Compound,CC1(CCC2C(=CC3C4C2(CC(CC4(C(=O)O3)C)O)C)C1)C=C,VSXVHWPQGHHXGS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
53463576,Lucyin A,OtherMutliCpd,Compound,CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)O)C)C)(C)C=O)O)C)C,MFGKQCGZFKURGT-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
53465568,Mukolidine,OtherMutliCpd,Compound,COC1=CC=CC2=C1NC3=C2C=C(C=C3)C=O,KSTPFEFAPRYLOZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
53465569,Mukoline,OtherMutliCpd,Compound,COC1=CC=CC2=C1NC3=C2C=C(C=C3)CO,SGZIASPZRSVPDJ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Carbazoles,Carbazoles,none,none,none,none,none,none
53467538,"(2S	4S)-Pinnatanine",OtherMutliCpd,Compound,C=C/C(=C\NC(=O)C(CC(C(=O)O)N)O)/CO,VYDAYIZJJUOQMT-GQCTYLIASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Glutamine and derivatives,none,none,none,none
53477508,(S)-Hydroxyoctanoyl-CoA,OtherMutliCpd,Compound,CCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O,ATVGTMKWKDUCMS-FZQVHTIWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
53477676,Reichstein S,OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CC[C@@H]3C2CC[C@]4(C3CC[C@@]4(C(=O)CO)O)C,WHBHBVVOGNECLV-HMGFGKNBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53477678,3-Hydroxypregn-5-en-20-one,OtherMutliCpd,Compound,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@H](C4)O)C)C,ORNBQBCIOKFOEO-STZXPNGSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Pregnane steroids,Gluco/mineralocorticoids-- progestogins and derivatives,none,none,none,none,none,none
53477680,2b-Hydroxycholate,OtherMutliCpd,Compound,C[C@@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(C[C@@H]([C@H](C4)O)O)C)O)O)C,IMMADCCLTPCOKH-DLPNMVJGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477681,"3	4	7-Trihydroxycholanoic acid",OtherMutliCpd,Compound,C[C@@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H]([C@@H]4O)O)C)O)C,AIHWGPJJINPTRP-VSASKLEVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477682,SCHEMBL800279,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC(=O)[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C,AKRBLZKRYPEVIK-IACDPKRHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53477683,"1b	3a	12a-Trihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2CCC4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)C,DAKYVYUAVGJDRK-LFMRMFNLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477684,HMDB00330,OtherMutliCpd,Compound,C[C@@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2CCC4[C@@]3(CC[C@H]([C@@H]4O)O)C)O)C,FRYVQXCDSBCDAU-IQXKVUNVSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477686,"3alpha	7alpha-Dihydroxy-5beta-cholestanate",OtherMutliCpd,Compound,C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,ITZYGDKGRKKBSN-KLYSAGIUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477687,"3b	17b-Dihydroxyetiocholane",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O)CCC4[C@@]3(CC[C@@H](C4)O)C,CBMYJHIOYJEBSB-WTVXNACZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53477688,HMDB00372,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC(=O)C2=O)CCC4=C3C=CC(=C4)O,ANPHVANSJXDRTP-VLVBFLKRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
53477689,Allolithocholate,OtherMutliCpd,Compound,C[C@@H](CCC(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@H](C4)O)C)C,SMEROWZSTRWXGI-IBUNROKMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477690,"5b-Androstane-3a	17a-diol",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@H]2O)CCC4[C@@]3(CC[C@H](C4)O)C,CBMYJHIOYJEBSB-CRQQDORFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53477691,"12a-hydroxy-3-oxo-4	6-choladien-24-oic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2C=CC4=CC(=O)CC[C@]34C)O)C,DJVAMCYXFUWMLS-RVOJYKBWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477692,7-Hydroxy-3-oxocholanoic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)C,KNVADAPHVNKTEP-MKYSPFRDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477693,Nutriacholic acid,OtherMutliCpd,Compound,C[C@@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C,DXOCDBGWDZAYRQ-QPVZPPSOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477694,5a-Deoxycholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C,KXGVEGMKQFWNSR-FBDAZGPESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477695,"5b-Cholestane-3a	7a	12a	23S	25-pentol",OtherMutliCpd,Compound,[H][C@]1(C2[C@@](C(C1)[C@H](C[C@H](O)CC(O)(C)C)C)([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)[H],OXSBBBPDYVCAKC-CTSLUMRNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477696,7-Oxocholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC(C4)O)C)C,YIKKMWSQVKJCOP-QJFKPLHKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477697,3-Oxocholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C,OEKUSRBIIZNLHZ-ZHDFXGGTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477698,7a-Hydroxy-3-oxo-5b-cholanoic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C,KNVADAPHVNKTEP-KXIRRPOASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477699,5a-cholic acid,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,BHQCQFFYRZLCQQ-HXCSUAOSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477700,a-Muricholate,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,DKPMWHFRUGMUKF-LPMPYYIQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477701,"3a	7a-Dihydroxy-5a-cholanate",OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C,RUDATBOHQWOJDD-FBMQJMKYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477702,HMDB00520,OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,NTIXPPFPXLYJCT-SUGKMTRFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477704,DESMOSINE,OtherMutliCpd,Compound,C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N,VEVRNHHLCPGNDU-NIVVRJPPSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tetracarboxylic acids and derivatives,Tetracarboxylic acids and derivatives,none,none,none,none,none,none
53477708,b-Heparin,OtherMutliCpd,Compound,CC[C@H]1[C@@H]([C@H]([C@H](O[C@H]1C(=O)O)CO[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2OS(=O)(=O)[O-])CO)OC)NC(=O)C)O)O,DYTJJIPHSVVNGF-IPUVJUKZSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
53477712,"Cholestane-3	7	12	25-tetrol",OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2C(CC4[C@@]3(CCC(C4)O)C)O)O)C,NTIXPPFPXLYJCT-OWOWEXKPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477713,Cysteineglutathione disulfide,OtherMutliCpd,Compound,C(CC(=O)N[C@@H](CSSCC(C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,BNRXZEPOHPEEAS-PPSBICQBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53477714,Heparan sulfate,OtherMutliCpd,Compound,CO[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1C(=O)[O-])O[C@H]2[C@@H](O[C@H]([C@H]([C@@H]2[O-])NOS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O,WKPUACLQLIIVJJ-RHKLHVFKSA-M,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Disaccharides,Disaccharide sulfates,none,none,none,none,none
53477716,Lithocholyltaurine,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@H](C4)O)C)C,QBYUNVOYXHFVKC-LVMSMGIASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
53477717,Monoiodothyronine,OtherMutliCpd,Compound,C1=CC(=CC=C1O)OC2=C(C=C(C=C2)C[C@H](C(=O)O)N)I,SXQVOFSDWXYIRP-CYBMUJFWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
53477718,Vinylacetylglycine,OtherMutliCpd,Compound,C=CCC(=O)NCC(=O)O,UKISAGFGRDHYFO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
53477721,nicotinate-delta-ribonucleotide,OtherMutliCpd,Compound,C1C(C=CC=[N+]1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)O,OGCWVIVNTBZPBW-BHRXDNSCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
53477724,Diadenosine Pentaphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H](C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,OIMACDRJUANHTJ-OEOQABFDSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
53477725,trans-3-hydroxycotinine glucuronide,OtherMutliCpd,Compound,CN1C(C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3=CN=CC=C3,WALNNKZUGHYSCT-QBYCBOKUSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
53477726,GDP-4-dehydro-6-L-deoxygalactose,OtherMutliCpd,Compound,C[C@H]1C(=O)[C@H]([C@@H](C(O1)OP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O,PNHLMHWWFOPQLK-GTXIGXBOSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine nucleotide sugars,Purine nucleotide sugars,none,none,none,none,none,none
53477727,"25	26-dihydroxyvitamin D",OtherMutliCpd,Compound,C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1(CC/C(=C/C=C\3/C[C@H](CCC3=C)O)/C2)C,WWGCQHXFACVYPT-JKVVTCAUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
53477728,Diadenosine heptaphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,IBORMIZOWBHWTG-XPWFQUROSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
53477729,Adenosine octaphosphate,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,KNWWPGOAVAWQPI-KEQCZIJCSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
53477730,Guanosine triphosphate adenosine,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2[C@H]3C(C([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4C(C([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O,PMJUJCUPNRCBNP-KNKPYYCGSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
53477731,HMDB01495,OtherMutliCpd,Compound,C1=C[C@H]([C@H]([C@@H]1NCC2=CNC3=C2C(=O)N=C(N3)N)O)O,WYROLENTHWJFLR-BHNWBGBOSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyrimidines,Pyrrolo[2--3-d]pyrimidines,Pyrrolo[2--3-d]pyrimidines,none,none,none,none,none,none
53477732,7a-Hydroxycholesterol,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,OYXZMSRRJOYLLO-AWBHSAGMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477733,HMDB01508,OtherMutliCpd,Compound,C1[C@@H]([C@H](OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)O)O,DAEAPNUQQAICNR-GFCOJPQKSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside diphosphates,Purine 2'-deoxyribonucleoside diphosphates,none,none,none,none,none
53477734,Diguanosine hexaphosphate,OtherMutliCpd,Compound,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N,SUBCCLLJUFUQFC-MHARETSRSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
53477739,Diapid,OtherMutliCpd,Compound,C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N,BJFIDCADFRDPIO-ZCCHBGLBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53477741,HMDB02061,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)OC)O)O,OEANUJAFZLQYOD-DDKBAWAXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
53477744,"(3R	3'R	6'R	9-cis)-Carotene-3	3'-diol",OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]2C(=CC(CC2(C)C)O)C)\C)/C,KBPHJBAIARWVSC-AFHWOPEVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477752,"(3a	5b	7a	12a)-24-[(carboxymethyl)amino]-1	12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid",OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C,BWWWIHHYPYDOJQ-BSGVGGAOSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53477753,HMDB02579,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C,ABFZMYIIUREPLL-ZWDGUQLWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53477754,3-Sulfocholyltaurine,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)O)C,LKTXOQJJFLAZRW-XVBIMYNNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Taurinated bile acids and derivatives,none,none,none,none,none,none
53477755,HMDB02596,OtherMutliCpd,Compound,C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C,NNEIBJNHWVDJBA-WJQHFXMBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53477756,HMDB02639,OtherMutliCpd,Compound,C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,FHXBAFXQVZOILS-JWOIRZCRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
53477757,"cis-5	6-Dihydro-5	6-dihydroxy-carotene",OtherMutliCpd,Compound,CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(C(C)(CCC=C(C)C)O)O)/C)/C)/C)C,BMVRDJXDSMPZGO-POVXXGCKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477758,alpha-Hypophamine,OtherMutliCpd,Compound,CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,XNOPRXBHLZRZKH-MQYCRUOZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53477759,"3-cis-Hydroxy-b	e-Caroten-3'-one",OtherMutliCpd,Compound,CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C\C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC=CC2(C)C)C)/C)/C,HBHHQQIZEXNSHZ-KYFZIPCGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477760,"(3R	3'R	6'R	9'-cis)-b	e-Carotene-3	3'-diol",OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\[C@@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C,KBPHJBAIARWVSC-OBXOTRKLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477761,"5	6-Dihydro-5	6-dihydroxy-y	y-carotene",OtherMutliCpd,Compound,CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC(C(C)(CCC=C(C)C)O)O)/C)/C)/C)C,SAQBOLDBFLXXPW-MRGSADCMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477762,HMDB03101,OtherMutliCpd,Compound,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@]12O[C@@]1(CC(CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(CC(CC4(C)C)O)C)\C,SZCBXWMUOPQSOX-LOIAFDEVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477763,"(3R	3'R	13-cis)-b	b-Carotene-3	3'-diol",OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C\C=C\C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C,JKQXZKUSFCKOGQ-VGCBESEKSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477765,withanolide,OtherMutliCpd,Compound,CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5C6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)C,SASUFNRGCZMRFD-LYOLWDNZSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid lactones,Withanolides and derivatives,none,none,none,none,none,none
53477766,"(3R	3'R	15-cis)-b	b-Carotene-3	3'-diol",OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C\C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C,JKQXZKUSFCKOGQ-PWPFSTEPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477767,hesperidin,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,QUQPHWDTPGMPEX-UNZJSITISA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
53477771,"1	4-alpha-delta-Glucan",OtherMutliCpd,Compound,CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC)CO)CO,PTHCMJGKKRQCBF-OLYDTGNASA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
53477772,Hydridocobalamin,OtherMutliCpd,Compound,CC1=CC2=C(C=C1C)N(C=N2)C3C(C([C@@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]\4([C@H](C5=N/C4=C(\C6=N/C(=C\C7=N/C(=C(\C8=N[C@@]5([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)/C)/[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)/C([C@@H]6CCC(=O)N)(C)C)/C)CC(=O)N)C)O.[Co],SJBNFITWNDPBKE-WJICPROSSA-N,Organic compounds,Organoheterocyclic compounds,Tetrapyrroles and derivatives,Corrinoids,Cobalamin derivatives,none,none,none,none,none,none
53477774,"(3R	3'R	6'R	13-cis)-b	e-Carotene-3	3'-diol",OtherMutliCpd,Compound,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]2C(=CC(CC2(C)C)O)C)/C)/C,KBPHJBAIARWVSC-ZHSWJOBMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Tetraterpenoids,Carotenoids,Xanthophylls,none,none,none,none,none
53477776,"4	17beta-Dihydroxy-4-androstene-3-one",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O,BQOIJSIMMIDHMO-XRJYYLNASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53477778,Poly-g-D-glutamate,OtherMutliCpd,Compound,C(C[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N)C=O,LJVWRHJDEMCHNS-FDYHWXHSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53477780,HMDB04162,OtherMutliCpd,Compound,CO[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC)CO)CO,PTHCMJGKKRQCBF-ICIGWGHZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
53477792,N-acetyl-Leukotriene E4,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]([C@@H](CCCC(=O)O)O)SC[C@H](C(=O)O)NC(=O)C,BGGYAYMMFYBWEX-KDFQUNDDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53477793,CE(18:1(11Z)),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,BNQAKMBVXYXXED-XZMNDPPTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477794,CE(20:1(11Z)),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,OWTYWMJVQZQWFH-JQTKPCACSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477795,TUFTSIN,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)NC(CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O,IESDGNYHXIOKRW-NNFXCFJSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53477796,"3	3'-Diiodothyronine",OtherMutliCpd,Compound,C1=CC(=C(C=C1C[C@H](C(=O)O)N)I)OC2=CC(=C(C=C2)O)I,CPCJBZABTUOGNM-GFCCVEGCSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Phenylalanine and derivatives,none,none,none,none
53477797,"1	3	5(10)-Estratriene-3	4-diol-17-one",OtherMutliCpd,Compound,C[C@@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O,XQZVQQZZOVBNLU-KQWCVQSUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
53477798,HMDB06012,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]1(C=C[C@H](C2)O)C)C)(C)O,NZDUEHZAWOAARB-BWTDTTKRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53477799,"o	o'-dityrosine",OtherMutliCpd,Compound,C1=CC(=C(C=C1CC(C(=O)O)N)O)C2=C(C=C(C=C2)CC(C(=O)O)N)O,FHOZGLMQYMAREG-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,none,none,Lignans-- neolignans and related compounds,none,none,none,none,none,none
53477800,N-(2-Carboxyethyl)putrescine,OtherMutliCpd,Compound,C(CCNCCC(=O)O)C[NH3+],BTSHXVLJDRJCMM-UHFFFAOYSA-O,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Beta amino acids and derivatives,none,none,none,none,none
53477805,SECALCIFEROL,OtherMutliCpd,Compound,C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,FCKJYANJHNLEEP-AOWQBJNISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
53477806,Tetracosahexaenoyl CoA,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,KRIFZIRXAAITHR-HSGPJREDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53477807,25-Hydroxycholest-5-en-3-ol,OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,INBGSXNNRGWLJU-POAVOMIWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477808,"2	6-Dimethylheptanoyl-CoA",OtherMutliCpd,Compound,C[C@@H](CCCC(C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,GPXWBKWDXPBLKS-MKXQCCAMSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53477810,TChpCoenzyme A,OtherMutliCpd,Compound,CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,NVOWZIBKQIWTDG-ZJJOROQCSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Very long-chain 2-enoyl CoAs,none,none,none,none,none
53477812,Clupanodonyl CoA,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,NDRVWKXEWNMEEO-DYKQVNSOSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53477814,HMDB06268,OtherMutliCpd,Compound,CC(=O)N[C@H]1[C@@H](CC(O[C@@H]1[C@@H]([C@@H](COP(=O)(O)O)O)O)(C(=O)O)O)O,SQMNIXJSBCSNCI-KHLKYKDFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
53477815,alpha-Linolenoyl-CoA,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,OMKFKBGZHNJNEX-QJTDXEISSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53477827,L-Citramalyl-CoA,OtherMutliCpd,Compound,C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)(C(=O)O)O,XYGOWHUIVNMEIA-KKAINBEZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
53477841,"P(1)	P(4)-bis(5'-adenosyl) tetraphosphate",OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O,YOAHKNVSNCMZGQ-UHFFFAOYSA-J,Organic compounds,Nucleosides-- nucleotides-- and analogues,(5'->5')-dinucleotides,none,(5'->5')-dinucleotides,none,none,none,none,none,none
53477844,"L-threo-2	3-hexodiulosonic acid",OtherMutliCpd,Compound,C([C@@H](C(C(=O)C(=O)C(=O)O)O)O)O,GJQWCDSAOUMKSE-SCQFTWEKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,none,none,none,none,none,none
53477845,"Docosa-4	7	10	13	16-pentaenoyl CoA",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,QKBTYZDPVNTERQ-DZSGNFQISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53477846,etracosatetraenoate,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,OKOXEYTYHDPTEW-RUHNTKSMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53477847,Vaccenoyl-coa,OtherMutliCpd,Compound,CCCCCC/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,HEJOXXLSCAQQGQ-HHFSZNSTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53477848,trans-3-Hexenoyl-CoA,OtherMutliCpd,Compound,CC/C=C/CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,SKDDJNFRAZIJIG-PFNGVMQSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,3-enoyl CoAs,none,none,none,none,none
53477849,"Coenzyme A	 S-tetracosanoate",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MOYMQYZWIUKGGY-LIEWTTMESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53477850,(2E)-Octadecenoyl-Coenzyme A,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,NBCCUIHOHUKBMK-XCRBYWPRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
53477851,"trans-2-Methyl-5-isopropylhexa-2	5-dienoyl-CoA",OtherMutliCpd,Compound,CC(C)C(=C)C/C=C(/C)\C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MPYXOYHSKAAPLW-LBZPFNSKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53477852,Palmitoleoyl coenzyme A,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,QBYOCCWNZAOZTL-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53477853,"Beta-1	4-mannose-N-acetylglucosamine",OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,KFEUJDWYNGMDBV-MMOUBBDDSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
53477855,"cis-2-Methyl-5-isopropylhexa-2	5-dienoyl-CoA",OtherMutliCpd,Compound,CC(C)C(=C)C/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,MPYXOYHSKAAPLW-METJZTKNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53477856,Heptaglutamyl folic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1C(=O)N(C(=O)[C@H](CCC(=O)O)N)C(C(=O)[C@H](CCC(=O)O)N)(C(=O)OC(=O)[C@H](CCC(=O)O)N)C(C(=O)[C@H](CCC(=O)O)N)(C(=O)[C@H](CCC(=O)O)N)C(C(=O)[C@H](CCC(=O)O)N)(C(=O)[C@H](CCC(=O)O)N)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,KNLHIYYNBQALAI-IMYKNWLQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,none,none,none,none,none,none
53477857,Lex penta,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)O)O)O,WMYQZGAEYLPOSX-QKPOUJQKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
53477858,Lea trisaccharide,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O,HHQLEBOUBWWITP-MBKDEEHCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
53477860,Lacto-N-triose II,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O,RJTOFDPWCJDYFZ-SPVZFZGWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
53477862,Alpha-Trisaccharide,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@](C)([C@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)O,PWFTYELYTFERRB-VPTTUCOCSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,N-acyl-alpha-hexosamines,none,none,none,none,none
53477863,Globoisotriaose,OtherMutliCpd,Compound,C1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)CO,DRRWNKCTTZUPPM-FBSSLUAZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
53477865,beta-Trisaccharide,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@H](C(CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O,OZIOWHWTZWIMCZ-ZAATXKLJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
53477867,3-b-Galactopyranosyl glucose,OtherMutliCpd,Compound,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O)O)O)O)O,YGEHCIVVZVBCLE-AUCXZHPRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
53477869,3'-Sialyl-3-fucosyllactose,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O,FNCPZGGSTQEGGK-DRSOAOOLSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
53477870,3'-Sialyllactosamine,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H](C[C@@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)O)O,MKNNYTWMAUAKMA-FRLIKFETSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Sugar amino acids and derivatives,Pyranoid amino acids and derivatives,Neuraminic acids and derivatives,N-acylneuraminic acids and derivatives,N-acylneuraminic acids,none
53477881,Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp,OtherMutliCpd,Compound,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2C([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,POROYQINIQHUGJ-APJJTYCFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
53477882,3-O-a-L-Fucopyranosyl-D-glucose,OtherMutliCpd,Compound,CC1C(C([C@@H]([C@@H](O1)OC([C@H](C=O)O)[C@@H](C(CO)O)O)O)O)O,WFLGVJKIXANXQV-CJVZSHCUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
53477883,LNF I,OtherMutliCpd,Compound,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2[C@H]([C@H]([C@H](O[C@H]2OC3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)CO)O)O)O)O)O,DTVXXTISAIGIBA-GZPGEGJMSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
53477884,Lacto-N-fucopentaose V,OtherMutliCpd,Compound,C[C@H]1C(C([C@@H]([C@@H](O1)OC([C@H](C=O)O)[C@@H](C(CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3[C@@H](C([C@@H]([C@H](O3)CO)O)OC4[C@@H](C(C([C@H](O4)CO)O)O)O)NC(=O)C)O)O)O)O,TVVLIFCVJJSLBL-SEHWTJTBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Oligosaccharides,none,none,none,none,none,none
53477885,"25-Hydroxy-5	6-trans-cholecalciferol",OtherMutliCpd,Compound,C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C/C=C/3\C[C@@H](CCC3=C)O)C,JWUBBDSIWDLEOM-ZMHTYULMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
53477886,25-Hydroxytachysterol3,OtherMutliCpd,Compound,CC1=C(C(CCC1)O)/C=C/C2=CCC[C@]3(C2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C,REBCKWLPJGCBRY-GYDNJJFKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Vitamin D and derivatives,Vitamin D and derivatives,none,none,none,none,none,none
53477888,Cholesteryl nervonic acid,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,PUKCXSHDVCMMAN-FYGHJIOESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477889,20:5 Cholesterol ester,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,XZFUGMCJZFRBKF-JIKDAPOUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477890,Cholesteryl docosahexaenoate,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,VOEVEGPMRIYYKC-IWVSHIRDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477891,"CE(20:2(6Z	9Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,REFJKOQDWJELKE-NJJZEKHRSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477892,20:3 Cholesterol ester,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,MLPRJPSMAFZPLA-PJSAOELNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477893,"CE(22:2(13Z	16Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,YSGVSTJGBYXXIM-OVUVNFMNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477894,Cholesterol arachidate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,SUOVMGLZSOAHJY-YEYBIBAWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53477896,HMDB06754,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(CC4([C@H]3CCC4C(=O)CO)C=O)O)O,YWTDWORQGPLRLL-SXWUTGHTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53477897,"20a	22b-Dihydroxycholesterol",OtherMutliCpd,Compound,CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C)O)O,ISBSSBGEYIBVTO-IVMOZYHGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477898,"17a	20a-Dihydroxycholesterol",OtherMutliCpd,Compound,CC(C)CCC[C@](C)([C@]1(CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O,PRZXKPDANWDCNC-IMVKCWHASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477900,3-Keto-4-methylzymosterol,OtherMutliCpd,Compound,CC1C2CCC3=C([C@]2(CCC1=O)C)CC[C@]4(C3CCC4[C@H](C)CCC=C(C)C)C,DBPZYKHQDWKORQ-JQDPPCHWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477901,24-methylencholesterol,OtherMutliCpd,Compound,C[C@@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,INDVLXYUCBVVKW-CPEKGPMFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Ergostane steroids,Ergosterols and derivatives,none,none,none,none,none,none
53477902,HMDB06886,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CC[C@@H]2[C@@]1(C(C[C@H]3C2[C@@H](CC4[C@@]3(CCC(=O)C4)C)O)O)C,HHVQPBXBALLUDF-PUOAGSAWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477903,"5beta-cholestane-7alpha	12alpha-diol-3-one",OtherMutliCpd,Compound,CC(C)CCCC(C)C1CC[C@H]2[C@@]1(C(C[C@H]3C2[C@@H](CC4[C@@]3(CCC(=O)C4)C)O)O)C,HHVQPBXBALLUDF-VYSDRBBMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477904,5beta-Cyprinolsulfate,OtherMutliCpd,Compound,CC(CCCC(CO)COS(=O)(=O)O)C1CCC2[C@@]1([C@@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C,KAOLEMQCYWHOJQ-UQACNIHJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Tetrahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477905,5b-cholestan-7a-ol-3-one,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2[C@@]1(CCC3C2[C@H](CC4[C@@]3(CCC(=O)C4)C)O)C,HWOOALPDOJHOPO-SENDYOAPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53477906,HMDB06894,OtherMutliCpd,Compound,CC(CCCC(C)C1CCC2[C@@]1(CCC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C)C=O,YWGOKHMOJTZGBN-SBOSHUFNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53477907,Chenodeoxyglycocholate,OtherMutliCpd,Compound,CC(CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C,GHCZAUBVMUEKKP-AFQLCFGXSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Glycinated bile acids and derivatives,none,none,none,none,none,none
53477909,HMDB06927,OtherMutliCpd,Compound,C[C@@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C,MYWAIWDQTCHPTH-IUGQOUSLSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
53477910,HMDB06941,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H](C(O3)COP(=O)(O)OC(=O)CCC[C@@H](C(=O)O)N)O)O,POJWEBKSMOTPNS-ILUWSIKFSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,5'-acylphosphoadenosines,none,none,none,none,none
53477912,1-Phosphatidyl-myo-inositol,OtherMutliCpd,Compound,C(C(COP(=O)(O)OC1[C@@H]([C@H](C(C([C@@H]1O)O)O)O)O)OC=O)OC=O,GUBXYMKIJFOYOA-WSRCIYAPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoinositols,Phosphatidylinositols,none,none,none,none,none,none
53477948,Diacylglycerol(14:0/14:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,YXMZUGRMRIHNJM-YFILLSJLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477949,Diacylglycerol(14:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC,UWIIGCBFEBKNOZ-PMERELPUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477950,1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,SSKSBJYFDDMVGX-QDPLMGLHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477951,DG(14:0/18:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC,KMVLRLSCKJNBHV-XIFFEERXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477952,DG(14:0/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,XITYIRJXXQNQKT-ZWOXTJJBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477953,"DG(14:0/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,IAIYEYSEKAMSAJ-ANQMXWCJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53477954,Diacylglycerol(14:0/18:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ANROOOJERCHKLE-PQKXXNPHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53477955,DG(14:0/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC,WHDVKISBZHRCLW-DHUJRADRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477956,DG(14:0/20:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,VQOIASKPUKUIDV-CEJFXXFTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477957,"DG(14:0/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,YGOMWJXISJKIPY-CJZWHCSYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477958,"DG(14:0/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,LOWZJYQDLAZBBH-CJLHORADSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477959,"DG(14:0/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,MIOCZRAJMXIEKP-NYBWPXJJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477960,"DG(14:0/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WUAKTBJJBHNDEY-BAGRHYESSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477961,"DG(14:0/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,VAWMHRKGQOLSLO-LAOUYMLRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477962,"DG(14:0/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,BAFNDQNTLTVGNN-MJAVOFNKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477963,DG(14:0/22:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC,DINFAYNBAABMIP-QNGWXLTQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477964,DG(14:0/22:1(13Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,ZEALQNPZZFKGDN-DPTREUNKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477965,"DG(14:0/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,IOYSFCVWNHOMJU-KAOSVWFWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477966,"DG(14:0/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,RJWUOCNQTGXKIH-QILILDRISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477967,"DG(14:0/22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ILUYFTWKNLJHOS-BJTCJBOMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477968,"DG(14:0/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,UNAUUXGPAPFTQK-MTCOIHPXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477969,"DG(14:0/22:6(4Z	7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FRUADKDVYOLUEU-RWYVPCEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477970,DG(14:0/24:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC,MRSNAXQGXHAQSN-KDXMTYKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477971,DG(14:0/24:1(15Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,SUVBZYVWQQCWAS-DKEJYNJJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477972,Diacylglycerol(14:1/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,QBBDUCKQHZIYBX-QSQZFJJOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477973,Diacylglycerol(14:1/14:1),OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,UOMACDOEROJUON-XRZSNXEXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477974,Diacylglycerol(14:1/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,XRIOEAXABJXXOB-CCZSOTCQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477975,DG(14:1(9Z)/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,YDFMMWFTBDJBLR-DDNKTQICSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477976,DG(14:1(9Z)/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,MMXVUIXFSQFCJO-VMNLQMMRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477977,DG(14:1(9Z)/18:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,PAHKOLCUPPSBEU-ZUMVFQCASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477978,DG(14:1(9Z)/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,FPERUISYBAENFP-HEMZHSSGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477979,DG(14:1(9Z)/18:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,HJBMLXDFAMFHQW-QGYSHCINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477980,"DG(14:1(9Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,CJKXGRSGRKUWTH-LBWIYNPJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53477981,HMDB07046,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,TVHRYYQZCQWEBX-DNNRMAAOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53477982,"DG(14:1(9Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,VMPFJVBUSSLDKJ-UKRSEQBJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53477983,Diacylglycerol(14:1/18:4),OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,XQJDPVVGWRYPNC-HWYSFVLZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53477984,DG(14:1(9Z)/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,MTIPZYJQFUTOHS-UPROKQPWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477985,DG(14:1(9Z)/20:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,ICKXCACAKBBHBX-FGZNLNJOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477986,"DG(14:1(9Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,YMQRUULVAHFQLL-MJRSHOOBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477987,"DG(14:1(9Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,IWFGCEFHVOYIJT-CTBOBERRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477988,"DG(14:1(9Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,IUUIEXFKBNBZAX-WHJULUMISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477989,Diacylglycerol(14:1n5/20:4n6),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,DJCGWFGVVMXSPO-LJIUOZACSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477990,HMDB07055,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,NYQIPTKLAVMMTM-GVVBUXEXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477991,"DG(14:1(9Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FERDPPIQANTDTF-VHDCWOTASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477992,DG(14:1(9Z)/22:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,WCKCIZGPGIVEOH-LEWNPWSNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477993,DG(14:1(9Z)/22:1(13Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,MJYFNPBNUCMOFL-PAHRDQFESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477994,"DG(14:1(9Z)/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,ZUPOJSDRXROXHE-VXBBTDFSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477995,"DG(14:1(9Z)/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,PVIFENQCGOXOHK-ADJKREHHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477996,HMDB07061,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,VJQIPMXNHWLHEJ-WCNLUZKGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477997,"DG(14:1(9Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QSZQNXRKRGRBGH-ABHQEDCTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477998,"DG(14:1(9Z)/22:6(4Z	7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LKMPWHWTIZCBBZ-QOFYDNJOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53477999,DG(14:1(9Z)/24:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,UTZGYUJNAHEZNG-BAFOCXNNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478000,DG(14:1(9Z)/24:1(15Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC,HVGPRJUMMPTUIX-NGOVACPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478001,Diacylglycerol(15:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,BLZDFJIFJXGCSQ-PMERELPUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478002,Diacylglycerol(15:0/14:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,QONRXIIWERLIJA-CCZSOTCQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478003,1-pentadecanoyl-2-(9Z-hexadecenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,IHIWKNWPECHDKE-UFDIJAIZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478004,HMDB07072,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,SWVQAYQNZZIKDS-SLGWWNDQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478005,HMDB07075,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,YTQRLPWDUKCRNO-MULSWCQISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478006,Diacylglycerol(15:0/18:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,MFIONIMKDOSXCC-SJQSLJDISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478007,1-pentadecanoyl-2-eicosanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC,FDYQQDJLOXIANP-BHVANESWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478008,1-pentadecanoyl-2-(11Z-eicosenoyl)-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,DICYCLUXEYFAQX-ORMHLZIJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478009,"1-pentadecanoyl-2-(11Z	14Z-eicosadienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,MNZKISJSRMZONY-LCEPSDQBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478010,HMDB07081,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,WTCOHNVDJSHMGH-UCGLMYNGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478011,"1-pentadecanoyl-2-(8Z	11Z	14Z-eicosatrienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,ARFQXCQTHNSADT-MYEHOGAASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478012,"DG(15:0/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ATYAOFUCOSYTLI-QKTVEPRCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478013,HMDB07084,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,NTPCYOYVVPSNQC-YHONUFPPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478014,"DG(15:0/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,NTJHKGFUSIEKLS-BYGFOQLFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478015,1-pentadecanoyl-2-docosanoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC,ZHQQEOYWUADEOU-LHEWISCISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478016,Diacylglycerol(15:0/22:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,FTFFPLQCCJDTQB-WXMDSKLTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478017,"1-pentadecanoyl-2-(13Z	16Z-docosadienoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,VNZQIXITBBOTIX-OCTDRQCNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478018,"DG(15:0/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,DWRAYHLBWPXNEO-WEDIAHCFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478019,HMDB07090,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,RMBSKBPPHQMHRE-SAZUINNPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478020,"DG(15:0/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,TYMUDZIUTKWIND-GVHKSUQMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478021,"DG(15:0/22:6(4Z	7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HQNQQCVYQNJKCH-WWJJBLDJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478022,Diacylglycerol(15:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC,UXZBGLVLPDUMME-FAIXQHPJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478023,Diacylglycerol(15:0/24:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,SHYXNKCINZKAKS-JCEJMGBYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478024,DG(16:0/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,YXWUQOYZMIXAFY-HKBQPEDESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478025,DG(16:0/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,ZQTJALCDHQZOKF-DDNKTQICSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478026,Diacylglycerol(16:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC,ARIMPAYGOMZGCV-YTTGMZPUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478027,"DG(16:0/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,KDNUYTRUCDQVPP-LXOSFGRYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478028,"DG(16:0/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,OYXPFNZFYCYUHI-FMEBKUPGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478029,"DG(16:0/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GYMMHHODMBOFGD-MILDWRPISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478030,"DG(16:0/22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GHFNDQGKMZNZOE-OKDYJUGASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478031,Diacylglycerol(16:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC,TVIWMCWDNANSBL-RWYGWLOXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478032,Diacylglycerol(16:0/24:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,FXLDYAJCMQYCHG-FKQJZCQMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478033,DG(16:1(9Z)/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,VZUSEPVLZLDJKD-QDPLMGLHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478034,DG(16:1(9Z)/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,QLNBBFHLOKNQAA-VMNLQMMRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478035,Diacylglycerol(16:1/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,XWXCWIRSEKHIGL-UFDIJAIZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478036,DG(16:1(9Z)/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,PBQUPIXOPSSWNK-ZWOXTJJBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478037,DG(16:1(9Z)/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,ZLSFIDLWXKZYAS-QPFMYUCOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478038,"DG(16:1(9Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,ALRUJMSZDYDUJX-UHSSEUJSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478039,Diacylglycerol(16:1/18:4),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,LQPOSGRNWNZNHI-ZVPBBHRDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478040,"DG(16:1(9Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,CBNSYBOKMMVHOI-DYBBEDMHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478041,"DG(16:1(9Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CMBHKSKRJUUOQH-YGFCVJAISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478042,"DG(16:1(9Z)/22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GIZFOGBABDKCFB-STFOQGSXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478043,Diacylglycerol(16:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,YBYKRECPMNFVCV-HJQHNVIGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478044,Diacylglycerol(16:1/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC,NXKIVNNEJIFCSI-XQGOLSDZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478045,DG(18:0/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,XUOBSVNBXQMJJN-XIFFEERXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478046,DG(18:0/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,MBRVICKZLSURSE-ZUMVFQCASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478047,Diacylglycerol(18:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC,MFDDLXWAILMNJR-UMSFTDKQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478048,DG(18:0/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,WEYCUJKFHUWUDC-BSNNDZOISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478049,DG(18:0/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,YJORXFQCYXMMHL-KDKAWYBRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478050,"DG(18:0/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,UZECZIKHMHALLK-AXXSQWPMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478051,"DG(18:0/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,OAKDWRRHCIWFLL-XTSWYEAGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478054,HMDB07177,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LTTZSZYLXABAOL-PYZFZJQXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478055,Diacylglycerol(18:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC,VUCBBMHKAJGVCH-QLKFWGTOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478056,Diacylglycerol(18:0/24:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,XVXCYAADSWJESF-URFWVIAFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478057,DG(18:1(11Z)/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,SOSGKRNPXYNQLV-ZWOXTJJBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478058,DG(18:1(11Z)/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,DYCDNJCBFMRHHF-HEMZHSSGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478059,HMDB07184,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,OVECXZSLQGXETR-SLGWWNDQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478060,Diacylglycerol(18:1n7/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,GSEVZLBSIOIEFK-NMYQGLQJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478061,DG(18:1(11Z)/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,YHPHFGMSKYQPCV-QPFMYUCOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478062,DG(18:1(11Z)/18:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,FENDTVWNLRYBGG-SFVGVZPYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478063,DG(18:1(11Z)/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,JQTCHIYVEDEVBR-ZHDGQSQGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478064,DG(18:1(11Z)/18:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,SRHKYLVXCXLCRK-NZSGFQRZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478065,"DG(18:1(11Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,MVVNDYZCYMTEHS-LCRPXGJOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478066,"DG(18:1(11Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,ITGRMIJUDWFPJB-YYHNHJMXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478067,"DG(18:1(11Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,SFLFQNGUCOGMHS-RZRYPVESSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478068,"DG(18:1(11Z)/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,RJZXOVDQLWQIPM-MUYODOAPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478069,DG(18:1(11Z)/20:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,LQRQYCOYEWTFKW-QZEPCWIRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478070,DG(18:1(11Z)/20:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,ZAHZGYVUBKGHCK-PAGAYGOASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478071,"DG(18:1(11Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,OIXPTJDLWKBDKU-UEUWINCVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478072,"DG(18:1(11Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,YTSWOEQCQXAQDH-LCQCWRIZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478073,"DG(18:1(11Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,GAALDXSSYWDKHY-LPZPKENOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478074,"DG(18:1(11Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,UUDOMEYLXRMHOC-FXHMYPJMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478075,"DG(18:1(11Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,SISOTSHTWKLHSX-TZVDTISPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478076,"DG(18:1(11Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VOMWZIOQFOWIQI-MKRDPDFLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478077,HMDB07202,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,VPCSXODTTHAJTB-HJQHNVIGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478078,HMDB07203,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,RIUDEFVDQJMFPJ-CTRHINBQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478079,HMDB07204,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,MFYPBPYZOLPVCR-DGEULWQDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478080,HMDB07205,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,NKDHOYXNDMODDX-YBHIYYQISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478081,"DG(18:1(11Z)/22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,YJHQVQIVRKJNNG-YPKFTTCHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478082,"DG(18:1(11Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZEMYNAGHMFXKOF-VTNHKWKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478083,"DG(18:1(11Z)/22:6(4Z	7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,CVSMXWVJFQUQJK-YMCYZELXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478084,HMDB07209,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,UIMXDEOHRFGMEH-KRXRIBMHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478085,HMDB07210,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC,ZSQAOKSZFDYOAM-GHJNHKDUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478086,1-oleoyl-2-myristoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,HMLMESHNDWTNJR-ASUORMEESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478087,DG(18:1(9Z)/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,FQEGLIKCKLHEGC-QGYSHCINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478088,HMDB07213,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,ONBSDLIRNOIADI-PDGPHRJUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478089,DG(18:1(9Z)/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,PFIBPRNWUYNCLJ-DATDAJMQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478090,1-oleoyl-2-stearoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,QFAYEXQEVKDUJW-DGZCRLAFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478091,DG(18:1(9Z)/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,REOLZUSWSABFNR-ZLQCVYQCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478092,"DG(18:1(9Z)/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ORIYBZMGTOPMPK-ARWGWEKXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478093,"DG(18:1(9Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,DQSFBANQICKGFN-UONOXIPDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478094,"DG(18:1(9Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CDIDDLXSXXDECX-YGTYKICOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478095,"DG(18:1(9Z)/22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ZSUNRJOJJXRACA-PYQPTFFQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478096,HMDB07238,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,SSRMHOMIOKTWDP-GVUQESASSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478097,HMDB07239,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC,WFZSGDVAXWZXMS-BGUONOPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478098,"DG(18:2(9Z	12Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,AMBUOMWGQGABQI-JWVBYZEHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478099,"DG(18:2(9Z	12Z)/14:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,SUCDTZLGWMRZNV-LBWIYNPJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478100,Diacylglycerol(18:2/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,MHCWPULAANBCFD-DLUHYBPJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478101,"DG(18:2(9Z	12Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,AOSFXHKYBDUOSU-YAIZGCQRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478102,"DG(18:2(9Z	12Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,DPGMZDAWGDNYKG-IXDOJJAKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478103,Diacylglycerol(18:2n6/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,ZXCJPCXCYXXSHZ-ABRBOSAFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478104,"DG(18:2(9Z	12Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,YNIJMKWVLKABRN-TWDSNVLRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478105,1-linoleoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,FQNNBQJKEBDPQS-QPNAJOTBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478106,Diacylglycerol(18:2/18:4),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,BYLXXZYUDXCZFN-YQRUEVQWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478107,"DG(18:2(9Z	12Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,HGZIMBMJGQIUGE-VUKZTOICSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478108,"DG(18:2(9Z	12Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,XQKXAZZSUMABAU-HKOSRXLCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478109,"DG(18:2(9Z	12Z)/22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VQRULMYDUJBUJI-JQDWYLMKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478110,Diacylglycerol(18:2/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,CREKPPWUJXKTBJ-RUBACYBRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478111,Diacylglycerol(18:2/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,VQWPRLNMRKSLRU-NJXAGVJISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478112,"DG(18:3(6Z	9Z	12Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,JZYIYYFHNNKJMM-UAKXDPAOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478113,HMDB07270,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,AFTULFNBAWADMG-GSJZKLKLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478114,HMDB07271,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,XPGUEPBYNVJPCL-QFJHKLMISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478115,"DG(18:3(6Z	9Z	12Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,NFVDEXJHCNKRNB-XEQVECQLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478116,"DG(18:3(6Z	9Z	12Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,NMSWJOWPISSOTH-CCABUEPZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478117,"DG(18:3(6Z	9Z	12Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,ZPHRNEDMZVPDPW-CBKFDAJOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478118,"DG(18:3(6Z	9Z	12Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,KRGCJDIPBJLYNU-POWVNYCLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478119,"DG(18:3(6Z	9Z	12Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,BMMVKOKTTXXULX-ZMIOHZPPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478120,"DG(18:3(6Z	9Z	12Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,NEYUIEVYOYUWGW-AGNGCCSQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478121,"DG(18:3(6Z	9Z	12Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,OGEVDGPPHTZMPM-BSKUQPOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478122,HMDB07280,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,BZTQQFDJESLHOA-ILZSWZTISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478123,"DG(18:3(6Z	9Z	12Z)/20:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,AHFXSFABMNMUBM-WIYORBNSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478124,"DG(18:3(6Z	9Z	12Z)/20:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,IWXDCAQXGQMDAR-JHYVJXQESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478125,"DG(18:3(6Z	9Z	12Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,NHUHHZGAZPWFFY-JZFQNZMYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478126,"DG(18:3(6Z	9Z	12Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,MQZPKXGIDJXDBZ-HZCHVVOOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478127,"DG(18:3(6Z	9Z	12Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,VWGFGLPCXOADGD-ZQYHGOPLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478128,"DG(18:3(6Z	9Z	12Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,BMJLMYAYQSJGQQ-KJBINIJISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478129,HMDB07287,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,UBTRFMIZOCNCCH-LPIVCKLASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478130,"DG(18:3(6Z	9Z	12Z)/20:5(5Z	8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PLDSBOAPEPTUPX-VFFLDVDJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478131,"1-(6Z	9Z	12Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,WHZBAPHGAMGIDL-JWYCNVSLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478132,"DG(18:3(6Z	9Z	12Z)/22:1(13Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,PHXIXXFSDSAIQO-PDGAEXEUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478133,"DG(18:3(6Z	9Z	12Z)/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,RTZSIOQKPJZTKI-FZDCKXQYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478134,"DG(18:3(6Z	9Z	12Z)/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FHFMOLLRJAPEPA-JIMQXTMWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478135,HMDB07293,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JSSHVHGKTGMKIR-ZODPGEPVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478136,"DG(18:3(6Z	9Z	12Z)/22:5(7Z	10Z	13Z	16Z	19Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZWECNSICXIEZID-ACRQOEDWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478137,"1-(6Z	9Z	12Z-octadecatrienoyl)-2-(4Z	7Z	10Z	13Z	16Z	19Z-docosahexaenoyl)-sn-glycerol",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XSVAKXYZKYCILC-WARPBGNWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478138,HMDB07296,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,REQYDFPPTDUCSK-TTZQTZEQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478139,HMDB07297,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,UKXGVUNABXYDGT-KZDXCXIPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478140,"DG(18:3(9Z	12Z	15Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,JPQLQQYHEVIZEM-IRAKIBEVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478141,HMDB07299,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,HRKVGHDLVUYVQB-UKRSEQBJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478142,HMDB07300,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,MJEVTNQRFPLLCH-QECOYPFHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478143,"DG(18:3(9Z	12Z	15Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,RSSYCPWLZRHABI-DSZXWZEOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478144,"DG(18:3(9Z	12Z	15Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,WTCFWLQVTFTUDM-BTMLKTQRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478145,"DG(18:3(9Z	12Z	15Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,ODCPEIIXENHNQQ-WEJPQBCCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478146,"DG(18:3(9Z	12Z	15Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,IXUYFSXMHHYRHP-IPEYFSJXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478147,1-alpha-linolenoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,LYYSCXLWEIVEFO-LGRGBMOQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478148,"DG(18:3(9Z	12Z	15Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,JLNOLJTYJZCGLK-XSZFGFPMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478149,HMDB07307,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,QBTJRRWTWAXKSO-UKPISMAMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478150,HMDB07309,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,LCDYTMCBCVVTIZ-FCPNELAOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478151,Diacylglycerol(18:3n3/20:3n9),OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,XPXCMAYRPSSBKG-VRRKQHPASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478152,HMDB07316,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,KRRJLZAVCIHCJZ-BIWBDPSSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478153,HMDB07322,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,QHXDXQRTFFOENB-IQEXSWGUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478154,HMDB07325,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,BGWJMSIHZCMOFC-AWWKIQITSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478155,HMDB07326,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,JAFSCIZBDPLYJB-UUNVFPILSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478156,Diacylglycerol(18:4/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GRZURIVHWBXJGF-QYPGTZQNSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478157,Diacylglycerol(18:4/14:1),OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,DJPSDNJBZWPDDE-AVTGWHNUSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478158,Diacylglycerol(18:4/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,DQQBTKPFMLVCPZ-SHGZRWORSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478159,"DG(18:4(6Z	9Z	12Z	15Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CDEBMQMYQOXDIK-ZBKJKIDFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478160,"DG(18:4(6Z	9Z	12Z	15Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,VGOGKJZBRRLKDX-IXMHFBOMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478161,"DG(18:4(6Z	9Z	12Z	15Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,OIUBNEPDIZNKBB-PLBZCNGRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478162,"DG(18:4(6Z	9Z	12Z	15Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,QFHXBFXVSWPVCA-JRRRHNQSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478163,"DG(18:4(6Z	9Z	12Z	15Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,XCLMBBCBHPZMPV-ONZYHZSESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478164,"DG(18:4(6Z	9Z	12Z	15Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,QSEJQXZIIUGBTF-PXHWHCHQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478165,HMDB07336,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,SHLHYPMEWIXGTP-MBCLPVOKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478166,"DG(18:4(6Z	9Z	12Z	15Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,RKSUIYABXCMIDT-NSCDTNHQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478167,"DG(18:4(6Z	9Z	12Z	15Z)/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ZXBDMMYPYQQALX-BJXCJIDGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53478168,"DG(18:4(6Z	9Z	12Z	15Z)/20:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GEYARLCHXWOFLJ-YAEQCQLYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478169,"DG(18:4(6Z	9Z	12Z	15Z)/20:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ZBBDDOJAGFGYPL-AFXYGYGOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478170,"DG(18:4(6Z	9Z	12Z	15Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,QXTGXTDCIADQLB-QOMNQLAJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478171,HMDB07342,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,PDFVTAGUFHLCQK-NLJQANAJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478172,"DG(18:4(6Z	9Z	12Z	15Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,RRMWQDBJZKKUGJ-HZNABPJSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478173,"DG(18:4(6Z	9Z	12Z	15Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,BFHVEPQLGDSOJY-OAMCYMRISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478174,HMDB07345,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CRGKGGOQGMHHGN-RKWKSVRQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478175,"1-(6Z	9Z	12Z	15Z-octadecatetraenoyl)-2-(5Z	8Z	11Z	14Z	17Z-eicosapentaenoyl)-sn-glycerol",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,AMHBGJKUDUMUFD-BOUSCSLNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478176,"DG(18:4(6Z	9Z	12Z	15Z)/22:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GIMCDLCIXKQLOR-NPZKRYRUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478177,Diacylglycerol(18:4/22:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,MLKOWSFMVFMITR-UQJNFHCUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478178,"DG(18:4(6Z	9Z	12Z	15Z)/22:2(13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,FUDGZBMOORLTCG-FCDTXGFCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478179,"DG(18:4(6Z	9Z	12Z	15Z)/22:4(7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ZSNDBPNFIXXECQ-ONRVWSTQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478180,HMDB07351,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,IRIIDLWTFLCEMW-DOZRFRPTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478181,"1-(6Z	9Z	12Z	15Z-octadecatetraenoyl)-2-(7Z	10Z	13Z	16Z	19Z-docosapentaenoyl)-sn-glycerol",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WWJUWTTVQZKOHI-HIGCQQSTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478182,Diacylglycerol(18:4w3/22:6w3),OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,DPABDECPOHTCEX-NMFPTBMGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478183,Diacylglycerol(18:4/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,XALQTRIUEIYCLJ-VMQVAYHCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478184,Diacylglycerol(18:4/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,YLNSLYJMWYKQLW-CSXQVZEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478185,DG(20:0/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,YDLMMTKGYJYOBB-DHUJRADRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478186,DG(20:0/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,SHOHARHTHMTOQW-UPROKQPWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478187,Diacylglycerol(20:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC,YUSDUTQKWUAENI-BHVANESWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478188,DG(20:0/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,AAWNBEJOCRYVJE-QNGWXLTQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478189,DG(20:0/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,OFVNPHOCWHIKHI-KDKAWYBRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478190,DG(20:0/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,QJSPHKSKWHHHMP-QZEPCWIRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478191,CHEBI:75470,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,OTBWOSZDBGKQNH-WRDQRZSUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478192,"DG(20:0/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,PAZSROGSZMWHFZ-LWXJMYDFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478193,"DG(20:0/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,PKDQCJOMOPLGHH-DPOQYFCMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478194,"DG(20:0/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,BDSNRRJXONQNIJ-CVALLSOGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478195,"DG(20:0/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,KSANVGOMTZHSTR-HQGAHVAWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478196,HMDB07371,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,KWPQZKWCBQZBDO-ASRSQLTHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478197,"DG(20:0/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,KDXHNRWONDZYJK-OXOIWVRZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478198,HMDB07380,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,AETXDQTWHNBCRO-CVBPNMBTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478199,Diacylglycerol(20:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC,WGNDGJTYGIEOFX-GWHBCOKCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478200,Diacylglycerol(20:0/24:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,AKRKGXVHVYHPSL-KMZFKOFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478201,DG(20:1(11Z)/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,JXTPSPISHXPXCW-CEJFXXFTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478202,DG(20:1(11Z)/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,PYGQHYCIWAIGTQ-FGZNLNJOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478203,Diacylglycerol(20:1/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,XATDLPYTBUUMGA-ORMHLZIJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478204,DG(20:1(11Z)/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,PVMAYWXWGMZUAK-OKTLSVAYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478205,DG(20:1(11Z)/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,KHZWFBMNVAZGPA-JSTCSLLMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478206,DG(20:1(11Z)/18:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,VFQSEYDKZZYEJH-IYXMMJGVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478207,DG(20:1(11Z)/18:1(11Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,RYSCXMBYTIDCQV-PAGAYGOASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478208,DG(20:1(11Z)/18:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,SJOGNVDLVJAMLU-VDHPRTRFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478209,"DG(20:1(11Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,YTBITHSVLHBAPO-OUXUMZNPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478210,"DG(20:1(11Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,ZDDUXIPAYGHVPB-RXMCXTHDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478211,"DG(20:1(11Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,TYCOHOSLQWDQAF-PZRRJSEXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478212,"DG(20:1(11Z)/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,MPZCOUDYBXGVNA-WBTSYADVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478213,Diacylglycerol(20:1/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,SNTJOBLGSNXKNJ-AYBFMUQTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478214,"DG(20:1(11Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,XNHZTAPDVIWTFP-MTVOCPQASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478215,HMDB07403,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ADQHTXPTSHXNKF-ZOXQJHRNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478216,HMDB07409,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IXQXJHUJJUMUKV-VEVSMCONSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478217,Diacylglycerol(20:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,MOPXVXUEFWXBFK-YNNWIYJUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478218,Diacylglycerol(20:1/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC,DOBBBDWFEQVEFW-DZSRQPACSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478219,"DG(20:2(11Z	14Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,IFICCERBULNVSQ-CJZWHCSYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478220,"DG(20:2(11Z	14Z)/14:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,DWHZDPQGFGYFRB-MJRSHOOBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478221,Diacylglycerol(20:2/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,HDCDNPHAUKTJQG-LCEPSDQBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478222,"DG(20:2(11Z	14Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,ZTPAQAJEGRTJEW-PKQDJGPXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478223,"DG(20:2(11Z	14Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,UTOYVHXRVASAFH-YCGDJTGESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478224,"DG(20:2(11Z	14Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,ASDDLJYCZHQDQL-WGYNPVHSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478225,"DG(20:2(11Z	14Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,BYRYYARNLZHIAF-UEUWINCVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478226,"DG(20:2(11Z	14Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,FELHZPRYWOUNBS-SMJOZILHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478227,"DG(20:2(11Z	14Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,BBYILFLNYJLQDL-ASQXEFDISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478228,"DG(20:2(11Z	14Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,WPYUYUFTHKHNOY-RSDWLLFLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478229,"DG(20:2(11Z	14Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,YPKNZQFRRNHQIM-CNWVQWJYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478230,"DG(20:2(11Z	14Z)/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,RQXNAJITDPUZBL-ROQBABNZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478231,Diacylglycerol(20:2/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,WSSLCLAYUJSKQK-CMFLVMKTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478232,Diacylglycerol(20:2/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,ICBUTYBPAKWDKJ-IWGJJKJPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478233,HMDB07429,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,SPGHLBKMJHHORH-XASTUVSNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478234,"DG(20:2(11Z	14Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,PXRRYGSMQCZOCW-CRZFWNKOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478235,HMDB07438,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,DUHDCLLOYPIOGP-NACBIEJTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478236,Diacylglycerol(20:2/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,SMGLYCKEIXPEMG-LGJUANINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478237,Diacylglycerol(20:2/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,NCFNOKDEJVRVGG-DDYXGRGRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478238,"DG(20:3(5Z	8Z	11Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,ZFKRQJCZVAAEOD-ZBOLNTGISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478239,"DG(20:3(5Z	8Z	11Z)/14:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,ZPMRPNXEEGOUEF-NATRZPEYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478240,HMDB07445,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,KXYFPUGPNWXJSL-SKSNARAGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478241,"DG(20:3(5Z	8Z	11Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,BDNSPISIOGDGPS-NECMUMLTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478242,"DG(20:3(5Z	8Z	11Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,SZEXUNKGCGUPHN-PAFKGROLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478243,"DG(20:3(5Z	8Z	11Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,XETDMMRJZHSQDJ-AXJZTWIWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478244,"DG(20:3(5Z	8Z	11Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,QKEZNXCUTOZIMF-ANPHKOLSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478245,"DG(20:3(5Z	8Z	11Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,FWRPDUGFVJEUKA-DSJAAPMLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478246,"DG(20:3(5Z	8Z	11Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,BZNQAJMEFXSIMZ-AVMKZJKISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478247,"DG(20:3(5Z	8Z	11Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,XJVAEKAZSPNGNT-CTDJQAONSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478248,"DG(20:3(5Z	8Z	11Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,NNOJOPYWOXKYSG-KTYWMUPWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478249,HMDB07454,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ZOXDSQGFSSJSMP-WCNKCIMBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478250,HMDB07455,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,KTGCASOIGNMUDM-LRJFHYEFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478251,"DG(20:3(5Z	8Z	11Z)/20:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,JSFIBSBZSNVLIT-KKQWTLIESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478252,HMDB07457,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,VSVITRIWEUGRGY-BGPGRTOXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478253,"DG(20:3(5Z	8Z	11Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,VIGULOPHPJPIAO-XIUQCZDVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478254,"DG(20:3(5Z	8Z	11Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,CUMKGQFYKIGEIE-SKHAEIFUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478255,"DG(20:3(5Z	8Z	11Z)/20:4(5Z	8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WMBZHTUZIIZBIP-CAFLKJCSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478256,"DG(20:3(5Z	8Z	11Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CWKVHVZKEKWSIB-FYJQDSGBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478257,HMDB07462,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,BEOJBNNSHOSDJK-QSLGLRBXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478258,HMDB07463,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,ZEHUKAZVLGGOII-VTXASNIHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478259,1-meadoyl-2-erucoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,GIVPHQLIWSGNSA-CWDOMWFGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478260,HMDB07465,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,KYBNFHHRRWYEHE-NMWOAREWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478261,HMDB07466,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,KVHRTEJCJJQKBU-FCEVNBOVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478262,HMDB07467,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,QBNTXSQJVJEPDL-LGTQXYLTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478263,HMDB07468,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ICJKITKFTKFWBO-GFBKZPHGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478264,HMDB07469,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KXRHRVVSQZLFHG-IPXMJLNGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478265,HMDB07470,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,DMTGDTLIJYQBFZ-DHLNMGMWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478266,HMDB07471,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,RWFDWSSYELPEOP-LBTOYOBNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478267,"DG(20:3(8Z	11Z	14Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,UENDWBHWDOWHFT-NYBWPXJJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478268,"DG(20:3(8Z	11Z	14Z)/14:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,SKFOPGGYQYBFCU-WHJULUMISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478269,HMDB07474,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,ODOFVIKABBIMRA-MYEHOGAASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478270,"DG(20:3(8Z	11Z	14Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,RSRFHHURQVDURZ-JKUSIIDJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478271,"DG(20:3(8Z	11Z	14Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,ZRKUYQAICYSCRR-AMOZTXBCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478272,"DG(20:3(8Z	11Z	14Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,FGDNLJDSSZXOSG-GIUPUGINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478273,"DG(20:3(8Z	11Z	14Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,IXAIQJBVEMECBS-OUKHRYQUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478274,"DG(20:3(8Z	11Z	14Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,CFJYJZFDWFNDQU-OCRNITAESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478275,"DG(20:3(8Z	11Z	14Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,HKNXJXKTUNWDPF-XMEICGPTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478276,"DG(20:3(8Z	11Z	14Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,QSNBGBREAHXQGK-OELWGVPWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478277,"DG(20:3(8Z	11Z	14Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,DEGJUZYBGJWSHM-YDXNJHLSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478278,HMDB07483,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,UIDGDHJVUXZFLA-QKZIVHPESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478279,HMDB07484,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,HMZMEDWIYTYNQQ-YZBJRYRGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478280,"DG(20:3(8Z	11Z	14Z)/20:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,RYBURRAWDXPPKP-CHDLVFITSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478281,HMDB07486,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,HHXZEPDSGFSCPJ-MXAZPZDMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478282,"DG(20:3(8Z	11Z	14Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,LFSURXDQRGYOPC-PWCDXBRGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478283,"DG(20:3(8Z	11Z	14Z)/20:4(8Z	11Z	14Z	17Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GCRNNXVAIBLHEH-IHIDHSJOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478284,HMDB07496,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,PHPLWFQCASVRQP-XUONJTEMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478285,HMDB07499,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,ATXBLHGCQSRQNV-FDVSJJDCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478286,HMDB07500,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,DCHJVHKCIZDSCM-XJRQMTBGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478287,"DG(20:4(5Z	8Z	11Z	14Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JJXZMRRQULHJIN-DEZFVEHNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478288,HMDB07502,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,LCIVVIJVMPKZME-FQIKZQQKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478289,HMDB07503,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CICNAKNVONBEJB-RPPYSDCYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478290,"DG(20:4(5Z	8Z	11Z	14Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,MPIXRXDQNLLCPW-HOXKCEEVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478291,"DG(20:4(5Z	8Z	11Z	14Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IOKHFYXUAVQDTI-JUVVOIJLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478292,"DG(20:4(5Z	8Z	11Z	14Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,SSLUIKJWXSAHQW-JEKYZICCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478293,"DG(20:4(5Z	8Z	11Z	14Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JUFRUXYUYTWCEP-QISYXKOFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478294,1-arachidonoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,YOXLBXCEDZBDAK-CIFJYXINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478295,"DG(20:4(5Z	8Z	11Z	14Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IRDZWZNFELPJCK-JIPPLWADSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478296,HMDB07510,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LRTUGDJPTAVCDU-SEQPGXMVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478297,HMDB07511,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,ZUBCVQOCVGBAAF-JUCAFJEPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478298,HMDB07512,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,JZTFBDDSDUVIDV-HLQTVBFNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478299,"DG(20:4(5Z	8Z	11Z	14Z)/20:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LOXKXTMPIRLCJL-SDNYUQNHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478300,HMDB07514,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,BTSLGWIGCLOQRX-NDSSCVKOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478301,"DG(20:4(5Z	8Z	11Z	14Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,KWNSFYWJPQIBQL-SZDMVCCJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478302,"DG(20:4(5Z	8Z	11Z	14Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IDNWRPMAVMNDGB-HBQIWVRBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478303,"DG(20:4(5Z	8Z	11Z	14Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WZZUIUAEONPKOS-CVOQPVPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478304,HMDB07519,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,LCYFYSRTFUMQTK-XTOXDAHQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478305,HMDB07525,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JGRJCDZHLPRXHG-DHCTVBCHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478306,HMDB07528,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,XSGCDKADRTUPJN-VBWBMHQVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478307,HMDB07529,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,YFAFVULQEQGYAK-OXGRNNGBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478308,"DG(20:4(8Z	11Z	14Z	17Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,OSJZKMLDRVKCSL-LAOUYMLRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478309,HMDB07531,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,BAPOEPPAKQZUAY-GVVBUXEXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478310,HMDB07532,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,FREHMCALCYKHTM-YHONUFPPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478311,"DG(20:4(8Z	11Z	14Z	17Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,MEUZVHWHERKKNA-MILDWRPISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478312,"DG(20:4(8Z	11Z	14Z	17Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ZNGGGMQOPKOZLZ-YGFCVJAISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478313,"DG(20:4(8Z	11Z	14Z	17Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,WGGPVIRCYGIRPH-XHATVUSISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478314,"DG(20:4(8Z	11Z	14Z	17Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,UOOVTLWGFPLTTE-CNEYRVONSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478315,"DG(20:4(8Z	11Z	14Z	17Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,RIIMVWRPHMOXFG-KGCWUKPLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478316,"DG(20:4(8Z	11Z	14Z	17Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,HOAWEJZWXPKSQB-WJVKJRFCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478317,HMDB07539,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,SMAFFHMVYFWNBR-ZPZOCQMSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478318,HMDB07540,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CSDZCNPUYBKFSO-JBMOLENJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478319,HMDB07541,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,PXGZXCQVXOVJGE-IEYGHFGFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478320,"DG(20:4(8Z	11Z	14Z	17Z)/20:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,SFRAHICJPYFBTH-ANMDJUIDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478321,HMDB07543,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,UCEIHNHHMYDTNZ-GHHPGRLNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478322,"DG(20:4(8Z	11Z	14Z	17Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CMOADEJDYGMJFA-WUIAEINNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478323,"DG(20:4(8Z	11Z	14Z	17Z)/20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,JVDNJGFTEDUUFZ-BLLDRTOQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478324,"DG(20:4(8Z	11Z	14Z	17Z)/20:3(8Z	11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GZHWEZNKMRNQRJ-GJPFLTJYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478325,HMDB07547,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,XWKRZLDVWUXXJW-VANPREPPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478326,HMDB07548,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,XZUKUQGHWPETKI-ZBLQTDEHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478327,HMDB07549,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FSGLSWZWGRJDEF-BCKDVIJWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478328,HMDB07550,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,WVOUKCXPAOBTMU-KWVLUJTGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478329,HMDB07551,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,PGYSGDSNGIWYKO-BEDCZJCRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478330,HMDB07552,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,MLGAFQRLFGKXFV-CHALZTAYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478331,HMDB07553,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,ZCBHCOSDLOLNLW-OWJQCTMNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478332,HMDB07554,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,PGJUXLOMVCPELB-QVWQVYLSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478333,HMDB07555,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FQRITGZWODRJRD-FAFYFKLOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478334,HMDB07556,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,YCNDIMXDDFVUAL-ZZJJVMTHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478335,HMDB07557,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,JHXVXYRXVKMHKA-ZUSXPWMGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478336,HMDB07558,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,NAFAFUNATWUZJQ-HMKRARAHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478337,Diacylglycerol(20:5/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,DLCUCFRSAVONGT-AEQSUFNNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478338,Diacylglycerol(20:5/14:1),OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,MLQRXDMLDPCVRQ-UBKXAMEVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478339,Diacylglycerol(20:5/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,JTSRFZCOFLABRD-ZIOIQAJMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478340,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,NXYFOPFKIDKTMC-MISHMQECSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478341,Diacylglycerol(20:5/16:1),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,CQHRDRZMSJCJBX-JTQUUNRESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478342,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KTSNNVBEAOPRPI-BROCNRGJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478343,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,BQHUTGIHYWQLEF-OCKRNHPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478344,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KAIGHRWUPKTDHD-QIZUXMJSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478345,Diacylglycerol(20:5/18:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,OREPPYIZSZCDHX-JOWNYHGMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478346,HMDB07568,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XGFSQELSOPEAGL-CKHPHLSSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478347,HMDB07569,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VYXDPJIPBNGWCQ-RYDHPHPFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478348,Diacylglycerol(20:5/18:4),OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,DLMLWKXPIBXRKO-PFWNOLIKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478349,Diacylglycerol(20:5/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RIRRWYKZEDZUDS-XHJGARTISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478350,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/20:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HPTHPDWEVHVEGM-GJSVQJKPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478351,"DG(20:5(5Z	8Z	11Z	14Z	17Z)/20:2(11Z	14Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,UGFBSCSGZGEOQP-NGVALLSDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478352,HMDB07574,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,USZBFRXONNXJAK-SBOXATIISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478353,HMDB07575,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PSOIHWXVIPMBSA-QMFDVIECSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478354,HMDB07576,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LITYGDLQPCOQHN-LAQGFTRLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478355,HMDB07577,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HIQOETQMEWTTOI-UPUPFSAJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478356,HMDB07583,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,STFDXSFZJYFVLD-WKAQRXBLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478357,Diacylglycerol(20:5/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,AXXQXIFJLVVPRJ-XTRVTAHOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478358,Diacylglycerol(20:5/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RBLNKGWUAWKJKU-MARKDDANSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478359,DG(22:0/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,GPTYHEUZPNNEAA-QNGWXLTQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478360,DG(22:0/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,ANKVDPMNEXVLIF-LEWNPWSNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478361,Diacylglycerol(22:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC,PRKDPRHFWBLHCN-LHEWISCISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478362,DG(22:0/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,IQNYOCFHHRCMKY-KDXMTYKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478363,DG(22:0/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,QRZOVPVPADACPO-QZEPCWIRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478364,Diacylglycerol(22:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,LRICPHWEMRWZJP-RWYGWLOXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478365,HMDB07594,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,DZNWCBPSNDMSIF-HJQHNVIGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478366,1-behenoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,LHGMPHPBDXDKNZ-ZKLBNZMTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478367,Diacylglycerol(22:0/18:2),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,XRTUUFUWPZJACM-MBAZWWNYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478368,HMDB07597,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,YLRMUYBMZOKJDS-IEMZNRPDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478369,HMDB07598,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,CWDIHCJFCPROQT-QMEKCAQHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478370,"DG(22:0/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,SXRFCJXNEUITMA-RFJKBMEDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478371,Diacylglycerol(22:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC,CMDNHCVFGARJSP-QLKFWGTOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478372,Diacylglycerol(22:0/20:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,ZCXZDZBYZZXYMA-QGWKGAMHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478373,Diacylglycerol(22:0/20:2),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,FFMLJFFTZRDKOA-WSVMHZSVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478374,HMDB07603,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,HDHFEOBVDRNEJX-HATMGODFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478375,HMDB07604,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,NKZAQFRNJQYIMM-YRHZYZGDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478376,HMDB07605,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,KHCHWADDLRQETR-VYJLZWQBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478377,HMDB07606,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,MEQOGQOACKFHBM-UUMBBJMKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478378,Diacylglycerol(22:0/20:5),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WYIDQMCJNRLWDS-LNSCIZQNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478379,HMDB07612,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,KACLHCRWXDJTBX-AKMAWJOXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478380,Diacylglycerol(22:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,JNFGMOVZFAMADX-MFERNQICSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478381,Diacylglycerol(22:0/24:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,ABEGGXXVSOEZKQ-SDEAOELPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478382,DG(22:1(13Z)/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,JWFGFILKCCPCQY-DPTREUNKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478383,DG(22:1(13Z)/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,PGIXLWJGGIVRAK-PAHRDQFESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478384,Diacylglycerol(22:1/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,TWOUHMRUDBHXRS-WXMDSKLTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478385,DG(22:1(13Z)/16:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,RXOTVNUQJAJLLR-VAINBGCVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478386,DG(22:1(13Z)/16:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,MOOFSNCSOBPSIA-NFIJARSKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478387,Diacylglycerol(22:1/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,ODXFWOQBVSTXMW-AYBFMUQTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478388,HMDB07623,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,BIQMQDSHKNNYOX-CTRHINBQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478389,1-erucoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,ZSDJPWLPUODTSR-YHSFMADTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478390,Diacylglycerol(22:1/18:2),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,ZLQICTBXADUIDP-FUEJHESBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478391,"DG(22:1(13Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,KDNDIKPAWMWNEU-KKMJWZOUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478392,"DG(22:1(13Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,NCZZMJBUWFQPBY-OBJNFHFWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478393,Diacylglycerol(22:1/18:4),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,BXPLJLDIGVRTRM-YARBERQDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478394,Diacylglycerol(22:1/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,NTPDSESMXKGZCL-URFWVIAFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478395,Diacylglycerol(22:1/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,LPOXRQDISISWAO-ALXJKLDESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478396,Diacylglycerol(22:1/20:2),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,IMYDWSPTMQPKNA-MOUXKHRQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478397,1-erucoyl-2-meadoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,YNQBJKAZJGEMNO-XPWWUREQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478398,HMDB07633,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,QNOCYQPXSRUBRE-FIBYLSFNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478399,HMDB07634,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,NAXUBVIBDUEDCM-SRDFGLELSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478400,HMDB07635,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,YDXMDYJOSJXMSI-FHXKTQTGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478401,Diacylglycerol(22:1/20:5),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GKRFILQQEMYZNY-RJLHULJJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478402,Diacylglycerol(22:1/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,MSVFLQFHJISSLU-KMZFKOFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478403,HMDB07641,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LMUCYIGFYICQKQ-KCIWFPONSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478404,Diacylglycerol(22:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,ILXJLKSBHWRFDT-ANOXUIHHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478405,Diacylglycerol(22:1/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,CPEIMFWUHLXVLC-VPXYJLLVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478406,"DG(22:2(13Z	16Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,QHYUDKBZLXVCCQ-KAOSVWFWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478407,"DG(22:2(13Z	16Z)/14:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,XMQZLKOQIZBZII-VXBBTDFSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478408,Diacylglycerol(22:2/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,NOIXGTVWSDDNLG-OCTDRQCNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478409,"DG(22:2(13Z	16Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,UBTDFTXXEMBGHF-QIXAIMDBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478410,"DG(22:2(13Z	16Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,ZWNSQXDCOSRUMS-VWMWQVQRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478411,Diacylglycerol(22:2/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,HLTCNLGEQGEBQU-CMFLVMKTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478412,HMDB07652,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,MHPCDUWJHJFMPG-DGEULWQDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478413,HMDB07653,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,VRYOUAKNIMAVRE-NCUUJOFOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478414,"DG(22:2(13Z	16Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,HCTGXWJRDDNPHS-AFRYFLNXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478415,HMDB07655,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,RQWLSMTYYCMIJQ-GHKLHFTNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478416,HMDB07656,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,KVDLGXAZPYNPJG-KUSRJDHNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478417,"DG(22:2(13Z	16Z)/18:4(6Z	9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,IJQJNLWIGQWLKJ-DOIMQTEOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478418,Diacylglycerol(22:2/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,MNVXTBRMFRLIBV-SLORSEGHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478419,Diacylglycerol(22:2/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,HHGJOLCZJPPCNB-OZXITPPFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478420,Diacylglycerol(22:2/20:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,LLLBPUHEROWIPK-ILFLBGHUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478421,HMDB07661,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,MXRFXWANZVDNEF-CCQPDRAUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478422,HMDB07662,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,WPCQHKJLZMDRCC-SVQDOIIKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478423,HMDB07663,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GOFQQJYVBCMMJP-NRRIDDAASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478424,HMDB07664,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,BNUNGIKKBWIWMY-LOGITKRASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478425,Diacylglycerol(22:2/20:5),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WBIRVCRBSRMBFT-QLPWDAOLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478426,Diacylglycerol(22:2/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,SYRTYSWKAWYGTF-SGKUFLSRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478427,Diacylglycerol(22:2/22:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,QCJVJHKNGGKXIG-OMKKDWPDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478428,HMDB07670,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WQCGJEYJCWPUNB-JQABRDIGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478429,Diacylglycerol(22:2/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,VETMDRWCBLHRIH-XVFQAYOKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478430,Diacylglycerol(22:2/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,OZXKRESLHSIBQY-QUSLOAQQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478431,"DG(22:4(7Z	10Z	13Z	16Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,QBGBPUQBBPKIMB-QILILDRISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478432,"DG(22:4(7Z	10Z	13Z	16Z)/14:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,XFHLWLAUVLOPFQ-ADJKREHHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478433,Diacylglycerol(22:4/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,YOALJBLITWFXRW-WEDIAHCFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478434,"DG(22:4(7Z	10Z	13Z	16Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GWNXFBACTYTMFR-HCAHGFDZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478435,"DG(22:4(7Z	10Z	13Z	16Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,IZRHMCUTZWGDJC-ZLRBFKGLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478436,"DG(22:4(7Z	10Z	13Z	16Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ILHWYNVBJNFYEM-ZXGMNUQFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478437,HMDB07681,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FCHJOJAVIATUSR-LPUGRBTCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478438,1-adrenoyl-2-oleoyl-sn-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,UWHGFSHXNNIITD-PJPPLWEJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478439,"DG(22:4(7Z	10Z	13Z	16Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,PAEBSLIJYHGPGF-QBNBIVAASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478440,"DG(22:4(7Z	10Z	13Z	16Z)/18:3(6Z	9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ICNDZMSZWNYUNY-OQBVMXLYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478441,"DG(22:4(7Z	10Z	13Z	16Z)/18:3(9Z	12Z	15Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,NZTQSONEKNVKON-QWXAMJRVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478442,Diacylglycerol(22:4/18:4),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,PNMCUHZHBDNJSF-YCHKYBIISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478443,Diacylglycerol(22:4/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GJKOXMNPENCXLG-ASGYKGIISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478444,Diacylglycerol(22:4/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,NLMKZTCCTRLERF-DWWIKOPFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478445,Diacylglycerol(22:4/20:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VECKEBHJYOVSDY-XOAJDLJMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478446,HMDB07690,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,RLYQGRIPFCVXAU-KBNOFZCVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478447,HMDB07691,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JLODLARTQTZREE-BJJXPDNKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478448,HMDB07692,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,RNUKNDNZAJCKPR-VPKNLMFRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478449,HMDB07693,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,WCTSYJVNEWJSFQ-ZXPPINFBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478450,Diacylglycerol(22:4/20:5),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VIRXARQKAPMXCN-UEPTZLNASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478451,Diacylglycerol(22:4/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,PYYXVNXFDGGUSU-GSZVSBQJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478452,Diacylglycerol(22:4/22:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GZHQOXVWBBPIJC-UAXRITQPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478453,Diacylglycerol(22:4/22:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FIBVGNIJNOZDGP-RQDIHWOKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478454,HMDB07699,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FQUKNXCOHOIKOL-IGBKIXHZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478455,Diacylglycerol(22:4/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JTRQUZDNVIYNEW-OJSYVTGYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478456,Diacylglycerol(22:4/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ORQQQVNVQNDAHD-URCYLVSASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478457,"DG(22:5(4Z	7Z	10Z	13Z	16Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VQVOIPHXRHXGBT-VZVMZLABSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478458,HMDB07705,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,YDNAPGXYBAGJKV-VXKKMQCUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478459,HMDB07706,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,MFUZLCKTCGRZIB-RBJSXUBZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478460,"DG(22:5(4Z	7Z	10Z	13Z	16Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,BKMYQEAEUFOEQK-XLFMNSAVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478461,"DG(22:5(4Z	7Z	10Z	13Z	16Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,AOLGRWFYCNPHAV-CZQFILTPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478462,HMDB07709,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,PXCOILRYJJUSSX-UEJLDPQRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478463,"DG(22:5(4Z	7Z	10Z	13Z	16Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VMCYQHGROWEMCZ-AWRAWGKASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478464,"DG(22:5(4Z	7Z	10Z	13Z	16Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,NNQANODPBJKCJM-OOERVMSXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478465,"DG(22:5(4Z	7Z	10Z	13Z	16Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,JRWYXGSAPUEGDE-FAUBTCNBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478466,HMDB07713,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,QJILYSBCULYPGO-OUKDIYLQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478467,HMDB07714,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,GGSXFTRNBIPHPD-YWBAUMMQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478468,HMDB07715,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,GZBVGLNVBKBGBN-GXEFRPLRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478469,HMDB07716,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,KTDOHXGXGMQCPN-ZPXNQLEDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478470,HMDB07717,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WNUNKABSNHKCKL-VLFUWYQTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478471,HMDB07718,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,GMNGPJPLRQWREJ-OWSBRRQISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478472,HMDB07719,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,ZVXBKFOBOPNVGN-IIJIJCFRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478473,HMDB07720,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VSPFGLLIEGIXNL-LOXZZQGFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478474,HMDB07721,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,OPRMIEHWNNHGAY-XWPHQUOJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478475,HMDB07722,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,CTFURDUJZWDHTR-BAOLMIDPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478476,HMDB07723,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,SVPAZKZROFIXSO-TVHQRRPOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478477,HMDB07724,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,DXCFJXGLCGRMDT-YHTBHVAKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478478,HMDB07725,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,RORUDEHEHQYSRX-ZJSWZRKESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478479,HMDB07726,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,XZCDBXKQMQJHRU-CBVIBOQOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478480,HMDB07727,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,UKFMGYLWDOQZBW-MGBDBGTHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478482,HMDB07729,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,MLTSHRFXWFKCOH-ZEXOJSMCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478484,HMDB07731,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,VDCXQDQEEBCLRY-VEYHXRHUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478485,HMDB07732,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FMDLZWZDFBHHDO-XZLMQPKDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478486,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/14:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZVROWTOTBSWALZ-MTCOIHPXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478487,HMDB07734,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XJELJGCMEUSYKS-ABHQEDCTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478488,HMDB07735,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QWOQYJLGWAATKQ-GVHKSUQMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478489,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,JQLFUAQCNIZDSC-BVODOJPOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478490,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/16:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ASOMWOPPVTZMNM-PHOLIVLSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478491,HMDB07738,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RMUBRZSHPSLPPN-KHQAGVLASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478492,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,OAUHLSFRFTZERV-OEMUPAMISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478493,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GECUAKBGRVJUJU-GRVHNFGUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478494,"DG(22:5(7Z	10Z	13Z	16Z	19Z)/18:2(9Z	12Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,SBQQDCWXRMEXSL-NNZCLDOESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478495,HMDB07742,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IDHFFBJFOLOWQF-ZPLIEFBKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478496,HMDB07743,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IOETXCRONHUYPF-JNOODJOHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478497,HMDB07744,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VMEXRXSSAVUYGA-LGYVJSTCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478498,HMDB07745,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,AKINGKSXJBUZMC-PUNHXGBZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478499,HMDB07746,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RMCPDLFPBFRAAF-PLUAELDASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478500,HMDB07747,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IWVZSVBMYKYRSU-YDQOTCTKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478501,HMDB07748,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QVSWJMKCGZGCCH-GQHHXSLRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478502,HMDB07749,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ODUUASJSJXWAJL-AWGYRWBISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478503,HMDB07750,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,YEJOYXKJEVMEMN-XGFHMRGSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478504,HMDB07751,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,APHCNMZNZPFDAF-MJFROYOPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478505,HMDB07752,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,CIGBUIJNIAKRIV-QAYFXLHOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478506,HMDB07753,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ABAYEVNWLJTOMP-DOSZPRTLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478507,HMDB07754,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LHXWUFKDDGTKAP-SFGJZKLGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478508,HMDB07755,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QLJQNRSBMJLMHM-DWHRNJHJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478509,HMDB07756,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,AAPGXBRKBIUCMQ-UNIWNIHSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478510,HMDB07757,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZAEKZDVXKJHCLL-FHZWKLANSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478511,HMDB07760,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ZTWOXJGICXGWGT-FHBCSQKDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478512,HMDB07761,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,PAIXFIYRQPIEPW-SWNYXZIASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478513,Diacylglycerol(22:6/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,LLOBOJAKMZHEKH-GVYMSAMVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478514,Diacylglycerol(22:6/14:1),OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XBMDITLCJKLCKN-GYBWFKAVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478515,Diacylglycerol(22:6/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,XMMHGWPJHMYQFM-XCPKOXQZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478516,"DG(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/16:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,YSSOTPCOKHYQLF-ZOLFRYQZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478517,Diacylglycerol(22:6/16:1),OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,YKMUZDMOVVCPRZ-DELZSLHGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478518,"DG(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/18:0/0:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FEIXBHFPDYRMBE-ATZSXMIDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478519,"DG(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/18:1(11Z)/0:0)",OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QFILWJZAISMBNU-MNIJWQJWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478520,"DG(22:6(4Z	7Z	10Z	13Z	16Z	19Z)/18:1(9Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,NXCMGJUQOZEDQC-LXCLWIILSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478521,Diacylglycerol(22:6/18:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,DRFDMHPDWWUHIS-QMPRAYRDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478522,HMDB07771,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RTAMDSKHHWGJMG-HVANBCJVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478523,HMDB07772,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VWVKSXGRTNEJFD-YUYJAAIOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478524,Diacylglycerol(22:6/18:4),OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QJFAPVLDILEWRF-XMYMBRPUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478525,Diacylglycerol(22:6/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RKMAZJWSCLYQIG-RWKOWUEBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478526,Diacylglycerol(22:6/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,BLHHWMIUSFZRBK-SOCOUZEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478527,Diacylglycerol(22:6/20:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FVUPYZUHDBXJQO-PWBMGNKKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478528,HMDB07777,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,TTWPTCYOCXMSFH-BTOQSNTOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478529,HMDB07778,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,HIGQMDQUTFNJCU-XVGCJLOFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478530,HMDB07779,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,SEZDBSFMICHKGG-FLQAEDJTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478531,HMDB07780,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,RFINBXDIXFPFTO-JENWBKEFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478532,Diacylglycerol(22:6/20:5),OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WYIFICKEBONTOB-RXURWEMXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478533,Diacylglycerol(22:6/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,TWJYIHZPEYQMMG-ZSNVVMOKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478534,Diacylglycerol(22:6/22:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,QDSPTXAZNGCVJG-PNDHGRAESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478535,Diacylglycerol(22:6/22:2),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,MHDRTPJQGBFRLF-HKBYYINESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478536,Diacylglycerol(22:6/22:4),OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KDEYXPLTTWJJNN-GRTHEXQTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478538,HMDB07787,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,KHWADTANMYONEK-WSCNZZCCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478539,Diacylglycerol(22:6/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,USMCKRJMEPOWJN-QTYQGYBXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478540,Diacylglycerol(22:6/24:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,WCTQWPPQGLLAEV-UIMKPGLRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478541,DG(24:0/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,FJCHOCNTBKOXQW-KDXMTYKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478542,DG(24:0/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,SIOOGZNYMDUCPK-BAFOCXNNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478543,Diacylglycerol(24:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC,BVEFOESOGCKLLY-FAIXQHPJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478544,Diacylglycerol(24:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,TYGGMAVESAKUGI-RWYGWLOXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478545,Diacylglycerol(24:0/16:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,KRUMFQDFXZICFV-HJQHNVIGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478546,Diacylglycerol(24:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,REOXEWXOGNBTEW-QLKFWGTOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478547,HMDB07797,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,DCLDGCCWYBETPR-KRXRIBMHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478548,HMDB07798,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,CNKNQKFREZNPNM-GVUQESASSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478549,Diacylglycerol(24:0/18:2),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,KABXZSLVFJFVNB-RUBACYBRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478550,HMDB07800,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,NUOJGLPEAPUTSD-LCRKKDPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478551,HMDB07801,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,ICAZUZJEYPUWIO-AWWKIQITSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478552,Diacylglycerol(24:0/18:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,AZPPMFBVNVLFAF-LWBDVFHKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478553,Diacylglycerol(24:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC,DAQMWWWCALZFJC-GWHBCOKCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478554,Diacylglycerol(24:0/20:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,CVHZTMNJLZHIFA-YNNWIYJUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478555,Diacylglycerol(24:0/20:2),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,JLSZXORVQYNISH-LGJUANINSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478556,HMDB07806,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,MXZWHBIVKFXAKQ-WGDIDURJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478557,HMDB07807,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,VOJMKRSTEQMACO-SNGWNOJZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478558,HMDB07808,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,FCWYUZIWWXYQOC-HZYGDTERSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478559,HMDB07809,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,UUHCGXGRPXDVOO-RJCPTPRBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478560,Diacylglycerol(24:0/20:5),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,FZFUNZVNKZMZGP-RTXHKDBFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478561,Diacylglycerol(24:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,RQUWQRRCUNWZCO-MFERNQICSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478562,Diacylglycerol(24:0/22:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,LRVHJSMORBORDV-ANOXUIHHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478563,Diacylglycerol(24:0/22:2),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,JUSASRVQPPNJLE-XVFQAYOKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478564,Diacylglycerol(24:0/22:4),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,DYCYSIWSLOIJCX-COKVNDNFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478565,HMDB07815,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,MFHIPRHCKFUQFY-LKSODZMWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478566,HMDB07816,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VTVJRMYJONQWHJ-LLRCUVCISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478567,Diacylglycerol(24:0/22:6),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IYTDAJLPRGSOOJ-IKRSHJIXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478568,Diacylglycerol(48:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,VMBHVRBCFKYCLJ-GGCSAXROSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478569,Diacylglycerol(24:0/24:1),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,RJGNSCAELILYGZ-VAACDTGZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478570,DG(24:1(15Z)/14:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,SLTJAXBWBKSHTL-DKEJYNJJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478571,DG(24:1(15Z)/14:1(9Z)/0:0),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC,ILTAUBZEJAXFMT-NGOVACPCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478572,Diacylglycerol(24:1/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,MXESSGYBWUIDPK-JCEJMGBYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478573,Diacylglycerol(24:1/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,QJQVQHKEWODGQM-FKQJZCQMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478574,Diacylglycerol(24:1/16:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC,ZOBFTAHASANRKG-XQGOLSDZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478575,Diacylglycerol(24:1/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,RXQIBWQIDCOARN-URFWVIAFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478576,HMDB07826,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC,WGYBRGVAVSBJDH-GHJNHKDUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478577,HMDB07827,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC,YWEAKUAMAAEMPP-BGUONOPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478578,Diacylglycerol(24:1/18:2),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,FDIPKSFMACSLLO-NJXAGVJISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478579,HMDB07829,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC,JXMYCGIDLPFVIL-YISPAMIHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478580,HMDB07830,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,BDVYDEMAVHYMHV-UUNVFPILSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478581,Diacylglycerol(24:1/18:4),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,JFZMXKQFPNYWLT-SNZWJDBCSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478582,Diacylglycerol(24:1/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,WVFUXNSPMVQDML-KMZFKOFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478583,Diacylglycerol(24:1/20:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC,PFODAKKYTXGVSF-DZSRQPACSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478584,Diacylglycerol(24:1/20:2),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC,PVFLATUVZLWQLQ-DDYXGRGRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478585,HMDB07835,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC,OUMCELJIZBTOCU-NKBJPIHHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478586,HMDB07836,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC,QSPKEBRDLGBSHO-MZDZFIIESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478587,HMDB07837,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,RQRKAZXLNKXLFA-TZWHNGPDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478588,HMDB07838,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC,TWENFEVATBOSTQ-OPXLJXSKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478589,Diacylglycerol(24:1/20:5),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,VNSQJDSUWTXGEW-OYXAFDOLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478590,Diacylglycerol(24:1/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,UPVGABFSGSPFCU-SDEAOELPSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478591,Diacylglycerol(24:1/22:1),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,LPOPUWOOSTUCJD-VPXYJLLVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478592,Diacylglycerol(24:1/22:2),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC,KYJWXFJTKORGOQ-QUSLOAQQSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478593,Diacylglycerol(24:1/22:4),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,QIUIBIHYYDTLAA-LCECCWKOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478594,HMDB07844,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,WUAXCABRUBPUER-YAFSQVMZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478595,HMDB07845,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,YIXVYSJFXRDGCI-YEZLDMBLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478596,Diacylglycerol(24:1/22:6),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,ISCSEXCARYZQEL-FFACQOFOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478597,Diacylglycerol(24:1/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,YUFFMVIZZQIBPN-GBCBJHACSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478598,Diacylglycerol(48:2),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC,SOWAPPIVBQCDGN-BTOFNRAGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Diradylglycerols,Diacylglycerols,1--2-diacylglycerols,none,none,none,none,none
53478599,LPA(0:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O,LPQBQFLKBCPNAV-GOSISDBHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Monoacylglycerophosphates,Lysophosphatidic acids,2-acylglycerol-3-phosphates,none,none,none,none
53478600,LPA(0:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O,RPAOEHFOGLEBTJ-HXUWFJFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphates,Monoacylglycerophosphates,Lysophosphatidic acids,2-acylglycerol-3-phosphates,none,none,none,none
53478657,HMDB07959,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,RDURBYLGLCHSPP-WBVITSLISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53478885,HMDB08289,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,YQWTVKDCKKUNAT-VCZQVZGSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53479155,HMDB08552,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,ABHIRZHSFSONTD-OIVUAWODSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53479431,Phosphatidylcholine(24:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,AOOITFXGGJDRQB-USYZEHPZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53479435,HMDB08757,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@](C)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,KAHAVUOANNJTSI-QSCHNALKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53479449,HMDB08767,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,NCRQXMYZMBZNLA-VCZQVZGSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53479463,HMDB08775,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,XLMLWAMBXFBSLH-OIVUAWODSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Phosphatidylcholines,none,none,none,none,none,none
53479557,HMDB08848,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN,PHTAMEFBOLJOPU-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479581,HMDB08914,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN,VYBCJTRCGBXKFD-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479613,HMDB09013,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,QNBVZKHDAGOZNY-WBVITSLISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479713,HMDB09244,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,SNQQLUVWKCTRBA-QZNUWAOFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479791,HMDB09406,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,LQXLBMGVYLCFDW-FVTXYARZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479836,HMDB09472,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN,IOWGRRHLDCONTO-UPNCUQEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479847,HMDB09508,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,NADPZDHMCOZNQI-ANFMRNGASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479926,HMDB09630,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN,LGWPRBAVQAGLDR-YKSVHLCDSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479928,HMDB09632,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,GGGLOVGVHWXCCU-AXQRBITKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479933,HMDB09637,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC,AUDAZOUFONZJII-SWUYWNKHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479935,HMDB09639,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,IWZCRDQSSLJDNV-CXJUXISASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479979,HMDB09703,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN,FTEUKRJGBCBWLK-GNWCKAOHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479987,HMDB09712,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,HFZWSHYSKCBHPS-VQJSHJPSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479989,HMDB09714,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC,GOPLDSYYIWWKFH-HUESYALOSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479990,HMDB09715,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,BENFRFVBMTXSFG-VZUYHUTRSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53479992,HMDB09717,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,AWMJXBUPIZJELO-WBVITSLISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53480004,HMDB09732,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,VGOUDAJITPXSDE-ANFMRNGASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53480011,GPEtn(48:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,BZUNRSOACSOEBT-NLXJDERGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Phosphatidylethanolamines,none,none,none,none,none,none
53480223,"PIP2[3'	4'](16:0/16:0)",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC,HKWJHKSHEWVOSS-ADCMPYHFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoinositol phosphates,Phosphatidylinositol phosphates,Phosphatidylinositol-4--5-bisphosphates,none,none,none,none,none
53480226,HMDB10035,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O,YWQDMMFQDDLESQ-NXVRDOABSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoinositol phosphates,Phosphatidylinositol phosphates,Phosphatidylinositol-4--5-bisphosphates,none,none,none,none,none
53480250,HMDB10059,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC,CIKAEWLGOIVQBP-NXVRDOABSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoinositol phosphates,Phosphatidylinositol phosphates,Phosphatidylinositol-4--5-bisphosphates,none,none,none,none,none
53480356,"11	12	15-TriHETRE",OtherMutliCpd,Compound,CCCCCC(/C=C/C(=C(\C/C=C/CCCCCCC(=O)O)/O)/O)O,PBCZCSXKHMNACJ-RWEAINGASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53480359,9-HOTE,OtherMutliCpd,Compound,CC/C=C\CC/C=C/C=C(\CCCCCCCC(=O)O)/O,YUPHIKSLGBATJK-OBKPXJAFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53480447,Cortolone-3-glucuronide,OtherMutliCpd,Compound,CC12CC(CCC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,OKNSFVSKHQJVRN-XAYCFROHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
53480448,Dehydroisoandrosterone 3-glucuronide,OtherMutliCpd,Compound,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H](C(O5)C(=O)O)O)O)O)C,GLONBVCUAVPJFV-CLIRWHJISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53480449,Cholesterol glucuronide,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C,IJLBJBCDNYOWPJ-BBPBCBHPSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53480450,L-Epinephrine glucuronide,OtherMutliCpd,Compound,CNC[C@@H](C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O,BLTFFSZSAZRUSC-FYRJOLOESA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
53480451,3-alpha-Androstanediol glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O[C@@H]5[C@@H](C([C@@H](C(O5)C(=O)O)O)O)O,GYNWSIBKBBWJJW-YMRFBRODSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53480452,11-beta-hydroxyandrosterone-3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,BRPLOVMHAFXVOQ-HUMIJZDLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53480453,CHEMBL2075011,OtherMutliCpd,Compound,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=C3C=CC(=C5)O,CZGFLAQOJPXVRV-JRSYHJKYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroidal glycosides,none,none,none,none,none,none
53480454,17-Hydroxyandrostane-3-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@@H](O5)C(=O)O)O)O)O,GYNWSIBKBBWJJW-JRTXBCKMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53480455,3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@@H]5[C@@H](C([C@@H](C(O5)C(=O)O)O)O)O,VFUIRAVTUVCQTF-YJBBFZLGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroidal glycosides,Steroid glucuronide conjugates,none,none,none,none,none,none
53480456,CE(14:1(9Z)),OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,LAMGDJMPDNVWTB-GUIVWMAFSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480457,1-stearoyl-cholesterol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,XHRPOTDGOASDJS-GHOVPUJYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480458,"CE(18:3(6Z	9Z	12Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,GOHHVMNZYOLIPQ-BMVHEVBDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480459,"CE(20:4(8Z	11Z	14Z	17Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,HZUAPDDXDDVFOX-FETKFLJASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480460,CE(22:1(13Z)),OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,SQHUGNAFKZZXOT-JWTURFAQSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480461,"CE(20:3(5Z	8Z	11Z))",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,XQWTZYBOKFFMKJ-HXQMAXTDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480462,"CE(22:5(4Z	7Z	10Z	13Z	16Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,OMHZQRFOHAXINE-QXYMPDJNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480463,"22:5(7Z	10Z	13Z	16Z	19Z) cholesterol ester",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,XOLZNHXNFMEUGA-MCPSVCLNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480464,CE(24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C,AMUHTLRUMQYZJF-HVZUPDIGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Steroid esters,Cholesteryl esters,none,none,none,none,none,none
53480473,"LysoPC(22:5(4Z	7Z	10Z	13Z	16Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O,YBUXFQUGNPBZPS-YNBHEIDWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphocholines,Lysophosphatidylcholines,1-acyl-sn-glycero-3-phosphocholines,none,none,none,none,none
53480650,Ceramide (t18:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C(CCCCCCCCCCCCCC)O)O,IVBULNXGVIHEKN-AUOMWKRBSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Phytoceramides,none,none,none,none,none,none
53480651,CerP(d18:1/26:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,APJQQWPKXQLDRV-GVOPMEMSSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53480659,OPC4-CoA,OtherMutliCpd,Compound,CC/C=C\C[C@H]1C(CCC1=O)CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,YYUZYSVPFVOYLB-UQUDIQHQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53480660,OPC6-CoA,OtherMutliCpd,Compound,CC/C=C\C[C@H]1C(CCC1=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,VWFUYQVGVAEVNH-ZAPFENOOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53480661,OPC8-CoA,OtherMutliCpd,Compound,CC/C=C\C[C@H]1C(CCC1=O)CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,JZIQDJLBFKTBAK-BYGLJXPTSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53480662,trans-2-Enoyl-OPC4-CoA,OtherMutliCpd,Compound,CC/C=C\C[C@H]1C(CCC1=O)C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,QSAQFDYWYNLXEC-XIFSABRGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,2-enoyl CoAs,none,none,none,none,none
53480663,trans-2-Enoyl-OPC6-CoA,OtherMutliCpd,Compound,CC/C=C\C[C@H]1C(CCC1=O)CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,IEENEQSEOWXDQK-CFJMVVCHSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
53480664,trans-2-Enoyl-OPC8-CoA,OtherMutliCpd,Compound,CC/C=C\C[C@H]1C(CCC1=O)CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,WDBPMRZYBZCIQE-GQHYLMBESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
53480665,"{[(2R	3R	5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(2E	5Z)-dodeca-2	5-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2	2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid",OtherMutliCpd,Compound,CCCCCC/C=C\C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,ZSJRXHRCABOSNC-XRUZZFSQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Medium-chain 2-enoyl CoAs,none,none,none,none,none
53480667,LysoPE(0:0/18:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,KIHAGWUUUHJRMS-JOCHJYFZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480668,"1	2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H](C(O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,LDQFLSUQYHBXSX-HPPMYKKZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,Glycosyldiradylglycerols,Glycosyldiacylglycerols,none,none,none,none,none
53480671,L-alpha-Aspartyl-L-hydroxyproline,OtherMutliCpd,Compound,C1C(CN(C1C(=O)O)C(=O)C(CC(=O)O)N)O,WJDUWENBTQEKDZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
53480672,L-alpha-glutamyl-L-hydroxyproline,OtherMutliCpd,Compound,C1C(CN(C1C(=O)O)C(=O)C(CCC(=O)O)N)O,NRSOKLBABRGMGJ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
53480673,beta-Asp-Ser,OtherMutliCpd,Compound,C(C(C(=O)O)N)C(=O)NC(CO)C(=O)O,NXUUVXVCYTVIQQ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
53480674,beta-Asp-Thr,OtherMutliCpd,Compound,CC(C(C(=O)O)NC(=O)CC(C(=O)O)N)O,XPMVVZFGFJOFSL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,none,none,none,none,none,none
53480675,L-phenylalanyl-L-hydroxyproline,OtherMutliCpd,Compound,C1C(CN(C1C(=O)O)C(=O)C(CC2=CC=CC=C2)N)O,WJSNJMXOBDSZDL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
53480676,2-Hydroxy-3-methoxyestrone,OtherMutliCpd,Compound,C[C@@]12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)OC,YBCPNMOFBUWYTP-ACOLZQMSSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrane steroids,none,none,none,none,none,none
53480919,LysoPE(0:0/14:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,DDUZNLUWXLYPCP-GOSISDBHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480921,LysoPE(0:0/15:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,GIUNBNKDUHWVHI-LJQANCHMSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480922,LysoPE(0:0/16:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,CKPBBEOJHAPPBT-HXUWFJFHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480927,"LysoPE(0:0/18:3(6Z	9Z	12Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,QYXNIRQICOBIAE-CSLWLMPESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480929,"LysoPE(0:0/18:4(6Z	9Z	12Z	15Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,SYKRNJVTCMUCGF-JVBHARQXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480930,LysoPE(0:0/20:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,QEQAJJJSRGAOOG-XMMPIXPASA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480934,"LysoPE(0:0/20:3(5Z	8Z	11Z))",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,FJDVENKXPUIXRG-WMTBOZPISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480936,"LysoPE(0:0/20:4(5Z	8Z	11Z	14Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,YWOCITMXHHTBAW-XSQXPFHXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480938,"LysoPE(0:0/20:5(5Z	8Z	11Z	14Z	17Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,MMHCCHGAKPRCIO-KOYQJJOGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480939,LysoPE(0:0/22:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,NVLXNEISHNIEBO-AREMUKBSSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480943,"LysoPE(0:0/22:5(4Z	7Z	10Z	13Z	16Z))",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN,ZMHRXVSSWJALGN-GOGKNFEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480945,"LysoPE(0:0/22:6(4Z	7Z	10Z	13Z	16Z	19Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN,TWBVHOYVCUOMJY-PAUXXPOVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480946,LysoPE(0:0/24:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,BVNCTQAYPBVJJU-MUUNZHRXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480948,"LysoPE(0:0/24:6(6Z	9Z	12Z	15Z	18Z	21Z))",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,FQPLXQPTXKRVQH-RGSQNDLGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,2-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480951,"LysoPE(20:3(5Z	8Z	11Z)/0:0)",OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,YBDFPZJQBYCWBA-WMTBOZPISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480954,"LysoPE(22:5(4Z	7Z	10Z	13Z	16Z)/0:0)",OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)O,GUWNUQBHHWXHBE-GOGKNFEWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480956,LysoPE(24:0/0:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,OYIDIWMHAJCRKH-MUUNZHRXSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480958,"LysoPE(24:6(6Z	9Z	12Z	15Z	18Z	21Z)/0:0)",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,UOCKWCJPKZTDEK-RGSQNDLGSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoethanolamines,Lysophosphatidylethanolamines,1-acyl-sn-glycero-3-phosphoethanolamines,none,none,none,none,none
53480959,2-myristoleoyl-glycerol,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC(CO)CO,UETKPVCPWANBPE-WAYWQWQTSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480960,2-palmitoleoyl-glycerol,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO,CXUXMSACCLYMBI-FPLPWBNLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480961,2-vaccenoyl-glycerol,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC(CO)CO,OTDARJOVCLILGQ-FPLPWBNLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480962,2-stearidonoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO,WNCUAIVHPMNYAK-LTKCOYKYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53480963,2-eicosenoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(CO)CO,YRAZXZXQMMJRRV-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
53480964,2-eicosadienoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC(CO)CO,PMJSUEZTCFTBMD-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
53480965,HMDB11545,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC(CO)CO,SLRKCKOWXHZSDR-PDBXOOCHSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
53480966,2-meadoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO,CRSKSGIHJXUIHD-YOILPLPUSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
53480967,2-homo-g-linolenoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CO)CO,FHCHFKIVIFQBSC-QNEBEIHSSA-N,Organic compounds,Lipids and lipid-like molecules,Endocannabinoids,none,Endocannabinoids,none,none,none,none,none,none
53480968,2-docosadienoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(CO)CO,PFISEVUKDJTNGO-HZJYTTRNSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480969,2-adrenoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO,DVYDCUGIJCYIQN-DOFZRALJSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480971,2-docosapentaenoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO,LRBJILYYDLUADN-JLNKQSITSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480972,2-lignoceroyl-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,SNMGFBFZTAYEBF-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480973,2-nervonoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CO)CO,HXZFYDGMORCWCA-KTKRTIGZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480974,HMDB11560,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO,WMUDCZHZTVTGRX-KUBAVDMBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,2-monoacylglycerols,none,none,none,none,none
53480975,1-myristoleoyl-glycerol,OtherMutliCpd,Compound,CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O,ARCRKLOZHGPFFJ-KJPDOMRESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480976,97N,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O,KVYUBFKSKZWZSV-ZEVQVBBLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480977,1-vaccenoyl-glycerol,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O,KJHYUSLWTPMFTN-AQWUKCDYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480978,1-g-linolenoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)O,XQBHBEXBUZDCRY-FFXVNFNPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53480979,1-a-linolenoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)O,GGJRAQULURVTAJ-IWFQAGGASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53480980,1-stearidonoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)O,YICVZGXPPMTJCG-LIYQNMAISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Lineolic acids and derivatives,Lineolic acids and derivatives,none,none,none,none,none,none
53480981,1-eicosanoyl-rac-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O,UMEKPPOFCOUEDT-QFIPXVFZSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480982,1-eicosenoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O,HPTOSMWVVSKAGZ-DYYZXQNHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480983,1-eicosadienoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O,QRBGFYBOCBYOSN-KDTZXJSHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
53480984,HMDB11575,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O,IKBDZTUBAQMHJD-RDNZRLETSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
53480985,1-meadoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O,NXOGCYSVLAIYAP-UXNAVHBBSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
53480986,1-homo-g-linolenoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)O,LERKRWCYZNDWFH-YYRPCZOWSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
53480987,1-eicsoatetraenoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)O,LWXLRBPWKGXXED-FZLOBDGKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
53480988,1-eicosapentaenoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O,DFRRSBYSSXKROX-GABUGCEHSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,none,none,none,none,none,none
53480989,1-behenoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O,OKMWKBLSFKFYGZ-DEOSSOPVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480990,1-erucoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)O,ZXNAIPHYBVMMPY-DHSLYTQISA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480991,1-docosadienoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)O,UCYPOAPUDLUXQX-VXOKBQSKSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480992,1-adrenoyl-glycerol,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)O,UDZUDFKFJCAENZ-UGLSNKNVSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480994,1-docosapentaenoyl-glycerol,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)O,IDSLCYURGAOTOA-YAWQMZOFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480996,1-lignoceroyl-glycerol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O,KIWLCEXSSGNBJU-SANMLTNESA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480997,1-nervonoyl-glycerol,OtherMutliCpd,Compound,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)O,NVQGQHXFWUBOAU-IMHHWWNFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53480998,HMDB11590,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)O,SPDDTJMNQZVMGO-FJXNLOIUSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Monoradylglycerols,Monoacylglycerols,1-monoacylglycerols,none,none,none,none,none
53481003,"4	8-dimethylnonanoyl-CoA",OtherMutliCpd,Compound,CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,YGNKJFPEXQCWDB-DPSOZLMZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53481005,HMDB11615,OtherMutliCpd,Compound,C1[C@@H](C(OC1N2C3=C(C(=O)N=C(N3)N)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,BUZOGVVQWCXXDP-KLFYCJEISA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine deoxyribonucleotides,Purine deoxyribonucleoside triphosphates,Purine 2'-deoxyribonucleoside triphosphates,none,none,none,none,none
53481006,2'-Adenylic acid,OtherMutliCpd,Compound,C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O,QDFHPFSBQFLLSW-VTHZCTBJSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Monosaccharides,Pentoses,Pentose phosphates,none,none,none,none
53481007,Salicyl CoA,OtherMutliCpd,Compound,CC1=CC=CC=C1C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O,ATOBVMVSPXOGBP-XJJJFWNASA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53481009,24(R)-Hydoxycholesterol,OtherMutliCpd,Compound,C[C@H](CC[C@H](C(C)C)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,IOWMKBFJCNLRTC-BPWUYGJYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481010,"(24R)-cholest-5-ene-3-beta	7-alpha	24-triol",OtherMutliCpd,Compound,C[C@H](CC[C@H](C(C)C)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,ZNCHPOYZMVVJCK-DPFMVWRKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481011,"11beta	20-Dihydroxy-3-oxopregn-4-en-21-oic acid",OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CCC4C(=O)CC(=O)O)C)O,VUDYWBBYQWVFAG-GKLBWGGBSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Oxosteroids,20-oxosteroids,none,none,none,none,none,none
53481012,"11beta-Hydroxy-3	20-dioxopregn-4-en-21-oic acid",OtherMutliCpd,Compound,C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CCC4C(CC(=O)O)O)C)O,MSUMOHDXPKCNSB-ZUNXIJJCSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53481013,"2	4	7	10	13	16	19-Docosaheptaenoyl-CoA",OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,HTSMCTDWAPSBNO-FNCOHHGJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Very long-chain 2-enoyl CoAs,none,none,none,none,none
53481014,"2	8-Dihydroxyquinoline-beta-D-glucuronide",OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O)N=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,YQBCNQXCTHWJOK-DKBOKBLXSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
53481015,2-Methylerythritol,OtherMutliCpd,Compound,CC(CO)([C@H](CO)O)O,HGVJFBSSLICXEM-ROLXFIACSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar alcohols,none,none,none,none,none,none
53481016,2-Methylhexanoyl-CoA,OtherMutliCpd,Compound,CCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,QZBBWKARTWOCMU-BEMBNQBDSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53481018,3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate,OtherMutliCpd,Compound,C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C,UQFZKTIHSICSPG-UACSBYDTSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cholestane steroids,Cholesterols and derivatives,none,none,none,none,none,none
53481019,6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OP(=O)(O)OCC(COC(=O)C)OC(=O)C)O)O)O)O)CO)O)O,PURMXIZHPMUYNW-DDSODLQFSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoinositols,Phosphatidylinositols,none,none,none,none,none,none
53481022,aflatoxin B1 dialcohol,OtherMutliCpd,Compound,COC1=C2C3=C(C(=O)CC3)C(=O)CC2=C4C(COC4=C1)C(CO)O,QEIDPNWKOZPLQZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Naphthofurans,none,Naphthofurans,none,none,none,none,none,none
53481023,DHAP(10:0),OtherMutliCpd,Compound,CCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O,DWBYHKXQHTVKTE-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Glycerone and derivatives,Glycerone phosphates,O-acylglycerone-phosphates,none,none,none
53481024,"Galactose-beta-1	4-xylose",OtherMutliCpd,Compound,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,VCTBNHVCBSUQPG-YOUNRWHRSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,O-glycosyl compounds,none,none,none,none,none
53481025,HMDB11678,OtherMutliCpd,Compound,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)N[C@@H](CS)C(=O)O)/C)/C)/C)C,UBCKUGRWFMEXIF-WONWMLGISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
53481026,DHAP(6:0),OtherMutliCpd,Compound,CCCCCC(=O)OCC(=O)COP(=O)(O)O,DYGQOKMJJPXFMO-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Glycerone and derivatives,Glycerone phosphates,O-acylglycerone-phosphates,none,none,none
53481029,DHAP(8:0),OtherMutliCpd,Compound,CCCCCCCC(=O)OCC(=O)COP(=O)(O)O,PQQGELFARUCGEM-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Glycerone and derivatives,Glycerone phosphates,O-acylglycerone-phosphates,none,none,none
53481046,Cer(d18:0/12:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O,UHWYQXNZIBLESO-URLMMPGGSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
53481047,Cer(d18:0/18:1(11Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\CCCCCC)O,URHLXWKKSRFRJJ-RLMMGFKESA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
53481048,HMDB11766,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O,AOHMXFJFQLUIJL-RDUWXOKWSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
53481049,N-Tricosanoylsphinganine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,FTSDYFFYZJTACJ-IOLBBIBUSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
53481050,HMDB11770,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O,HCDLRJUFVJOBJP-ACEXITHZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
53481051,Cer(d18:1/18:1(11Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\CCCCCC)O,TZXPILCYVLWMNW-MZPNUNNSSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Long-chain ceramides,none,none,none,none,none,none
53481052,Cer(d18:1/22:1(13Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O,YHMJTZZWEXBHQK-MUDOESHNSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Ceramides,Ceramides,none,none,none,none,none,none
53481132,HMDB11856,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCC)O,LFCAAHPWGWUACU-SGGMCQCESA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481133,HMDB11857,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O,SDYNZSKYFKAXNJ-OPVWHVIRSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481134,HMDB11858,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC)O,NCVFCBJVZVKMER-NMYWPWINSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481135,HMDB11859,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,FJMABRAWCVMJNO-DJBDXNLDSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481138,HMDB11862,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,CXQNLZMTNBHHQL-PXJIOSGWSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481139,HMDB11863,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,RBGHSEPWFCKRML-WJTIAGGISA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481141,HMDB11865,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,KWLWYAAEODHDNR-MBUIKIGFSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481142,HMDB11866,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,QXBYEMDRSHMHKK-SDIBTWRZSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481144,HMDB11868,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,GFTUPVKKWGGVQG-IEFFFGRCSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481145,HMDB11869,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,MKMIFQBALFONLU-QGFHEIRUSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481189,HMDB11913,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCC)O,BRONPUKEHHXJAI-WBICLXEUSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481190,HMDB11914,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O,QGGCALSIIQGFOU-GQHXLKGDSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481191,HMDB11915,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC)O,RBTPLAKLLKHEMT-LFOAMVHVSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481192,HMDB11916,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,CFCULLUWKLQKFQ-SSYCJGENSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481195,HMDB11919,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,CNPPRLYZKHJIHM-NWFLUUCRSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481196,HMDB11920,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,RVEVFONPRRNOAB-CXQZVJPLSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481198,HMDB11922,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,VNJFOHLFORWZAK-HXLLUTKWSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481199,HMDB11923,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,OQKAQHLYWLTQHR-CFESZDLJSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481201,HMDB11925,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,VEMCOKFNMSMLOP-OKAPLKECSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481202,HMDB11926,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O,MEMLDEFJYMOSCW-MNCCINDPSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Glycosphingolipids,Glycosphingolipids,none,none,none,none,none,none
53481358,C12 Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(CCCCCCCCCCC)O)O,DBRCJAPVYYEHRO-GWDKEWMYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481360,SM(d18:0/18:1(11Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCC)O,HHAUPBIWIXBMEU-MMVRYLQTSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481362,SM(d18:0/22:1(13Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O,DLCISSOZWVGBGP-KUMHYYHTSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481364,SM(d18:0/23:0),OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O,CRPAVAKPGRALOU-YWPUXERESA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481366,Sphingomyelin (d18:1/18:1(11Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCC)O,FZMKZVXNTLAHFD-RTEXEOPXSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481378,(N-acetylglucosaminyl)2-diphosphodolichol,OtherMutliCpd,Compound,CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C,AGKFOAYTTMSUFA-AYIKJQCISA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenols,Polyprenyl phospho carbohydrates,none,none,none,none,none,none
53481379,(R)-benzylsuccinyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CC4=CC=CC=C4)C(=O)O)O,NDCMKVRQVICKLW-DULMRFQQSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53481380,2-carboxymethyl-3-hydroxyphenylpropionyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)O)C(C4=CC=CC=C4)O)O,DVSQFPLMOLPRDU-RECDSHRVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53481381,demethyl-ubiquinol-6,OtherMutliCpd,Compound,CC1=C(C(=C(C(=C1O)O)OC)O)C/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C,ZQXNZNKHQXLVCV-QXVHJBQVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,2-polyprenyl-6-methoxyphenols,none,none,none,none,none,none
53481382,5-demethoxyubiquinol-6,OtherMutliCpd,Compound,CC1=C(C(=C(C=C1O)OC)O)C/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C,ATQQULXELMEJIX-LYBKPRGTSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,2-polyprenyl-6-methoxyphenols,none,none,none,none,none,none
53481383,HMDB12148,OtherMutliCpd,Compound,CC(=CCC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC1=CC(=CC(=C1O)OC)O)/C)/C)/C)/C)/C)C,ZAGWHOPYPMUKOK-CGIMVRETSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenylphenols,2-polyprenyl-6-methoxyphenols,none,none,none,none,none,none
53481384,"5	7-dihydro-4H-purin-8-ol",OtherMutliCpd,Compound,C1=NC=NC2C1NC(=O)N2,GIKQOZJNGHZXSN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyrimidines,Purines and purine derivatives,Purinones,none,none,none,none,none,none
53481386,(Z)-zeatin-9-N-glucoside,OtherMutliCpd,Compound,C/C(=C/CNC1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)/CO,VYRAJOITMBSQSE-UMNZXQRGSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
53481388,dihydrozeatin-7-N-dihydrozeatin,OtherMutliCpd,Compound,CC(CCNC1=NC=NC2=C1N(C=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO,WSELIHNWDGFXRQ-UFZVAZPKSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
53481389,dihydrozeatin-9-N-glucoside-O-glucoside,OtherMutliCpd,Compound,CC(CCNC1=NC=NC2=C1N=CN2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,KDIRTCPHKDPWMQ-MRVUIOGRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,none,none,none,none,none,none
53481392,TDP-Fuc-4-Nac,OtherMutliCpd,Compound,C[C@@H]1C([C@@H]([C@H](C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC(=O)C,YHXQWYBLXUELDA-ANBZSJOMSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Pyrimidine nucleotides,Pyrimidine nucleotide sugars,Pyrimidine nucleotide sugars,none,none,none,none,none,none
53481394,HMDB12240,OtherMutliCpd,Compound,CC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)N2C=NC3=C2N=CN=C3NCC=C(C)C)O)O)O,MIBAUVZDWWWONW-HFVZKWEFSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Glycosylamines,none,none,none,none,none
53481398,phosphoribulosylformimino-AICAR-P,OtherMutliCpd,Compound,C1=NC(=C(N1[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O)NC=NCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N,BLKFNHOCHNCLII-IIZOACFYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole ribonucleosides and ribonucleotides,1-ribosyl-imidazolecarboxamides,1-ribosyl-imidazolecarboxamides,none,none,none,none,none,none
53481399,phytosphingosine-1-P,OtherMutliCpd,Compound,CCCCCCCCCCCCCC[C@H]([C@@H]([C@@H](COP(=O)(O)O)N)O)O,AYGOSKULTISFCW-KZNAEPCWSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481400,"undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4	6-dideoxy-D-galactose pyrophosphate",OtherMutliCpd,Compound,C[C@@H]1C([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)NC(=O)C)O)O)O)NC(=O)C,PSONHUYFSWYIME-JNYPHZTQSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Polyprenols,Polyprenyl phospho carbohydrates,none,none,none,none,none,none
53481407,3beta-Hydroxy-5-cholestenoate,OtherMutliCpd,Compound,C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,WVXOMPRLWLXFAP-UBJAGWMESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481408,"3 beta	7 alpha-Dihydroxy-5-cholestenoate",OtherMutliCpd,Compound,C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,GYJSAWZGYQXRBS-BJGNZVHYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481409,"3 alpha	7 alpha	26-Trihydroxy-5beta-cholestane",OtherMutliCpd,Compound,C[C@H](CCCC(C)CO)C1CCC2[C@@]1(CCC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C,OQIJRBFRXGIHMI-KZQGXEQDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Trihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481410,"7 alpha	24-Dihydroxy-4-cholesten-3-one",OtherMutliCpd,Compound,C[C@H](CCC(C(C)C)O)C1CCC2[C@@]1(CCC3C2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,LFFHZNXDGBQZCO-PXNWSTMDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481411,7 alpha-Hydroxy-3-oxo-4-cholestenoate,OtherMutliCpd,Compound,C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,SATGKQGFUDXGAX-KFNQEEOWSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Monohydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481412,"7 alpha	26-Dihydroxy-4-cholesten-3-one",OtherMutliCpd,Compound,C[C@H](CCCC(C)CO)C1CCC2[C@@]1(CCC3C2[C@@H](CC4=CC(=O)CC[C@]34C)O)C,KVJVJJWIEXCECB-JZGXDVPNSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Dihydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
53481415,EACSul,OtherMutliCpd,Compound,C1[C@@H]([C@@H](OC2=C(C=C(C=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OS(=O)(=O)[O-],PFNBTZIECYHRTC-WFASDCNBSA-M,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Sulfated flavonoids,3-sulfated flavonoids,none,none,none,none,none,none
53481417,HMDB12470,OtherMutliCpd,Compound,C[C@@H](CCCC(C)C)CC/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,IBMCVYHEOHFMLP-SDDAOAITSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,none,none,none,none,none,none
53481419,HMDB12471,OtherMutliCpd,Compound,C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)CCCC(C)C,QCNISQOYPUIJJO-GUQQFEKDSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53481421,3EZZTT-Coenzyme A,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\C=C\CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,FXHAQFYRGXSRHS-VZIATHHHSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 3-enoyl CoAs,none,none,none,none
53481423,HMDB12473,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,FODZOBVFWXSQFM-JUUBWDNMSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481425,3STDe-Coenzyme A,OtherMutliCpd,Compound,CCCCC/C=C/CCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,ZQDIAQJHDIPXDI-WCLGBGKHSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481427,(3S)-3-Hydroxyadipyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CCC(=O)O)O)O,OTEACGAEDCIMBS-IDOHWZMPSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
53481428,HMDB12476,OtherMutliCpd,Compound,CCCCC/C=C\CC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,XPCGRNRSXHPWGU-IDCSGFPPSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
53481430,(3S)-3-Hydroxylinoleoyl-CoA,OtherMutliCpd,Compound,CCCCC/C=C\C/C=C\CCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,ICMPOMMDSLXBOC-VDDVCRISSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481432,3SNisCoenzyme A,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,JJCGUWRDULVWQG-VXLHGKKBSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53481434,HMDB12480,OtherMutliCpd,Compound,C[C@H](CCC[C@H](C)/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)CCCC(C)C,XDRCVDXWYZRMDN-BFEXNXLWSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
53481436,"(5Z)-(15S)-11alpha-Hydroxy-9	15-dioxoprostanoate",OtherMutliCpd,Compound,CCCCCC(=O)CC[C@@H]1[C@H](CC(=O)[C@H]1C/C=C\CCCC(=O)O)O,CUJMXIQZWPZMNQ-PRDMLAEISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
53481438,"(R)-1	2-dimethyl-5	6-dihydroxy-tetrahydroisoquinoline",OtherMutliCpd,Compound,C[C@@H]1C2=C(CCN1C)C(=C(C=C2)O)O,AASFZUCQPYZSBW-SSDOTTSWSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydroisoquinolines,none,Tetrahydroisoquinolines,none,none,none,none,none,none
53481439,3(S)-hydroxypalmitoleoyl-CoA,OtherMutliCpd,Compound,CCCCCC/C=C\CCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,ZIRSQPAPHGZDIL-HKQFKPPYSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481442,HMDB12492,OtherMutliCpd,Compound,C1C(NC(C2=C1C3=CC=CC=C3N2)C(C(C(C(CO)O)O)O)O)C(=O)[O-],LCHFAYIGHOVWSA-UHFFFAOYSA-M,Organic compounds,Alkaloids and derivatives,Harmala alkaloids,none,Harmala alkaloids,none,none,none,none,none,none
53481445,"10	11-dihydro-12-oxo-LTB4",OtherMutliCpd,Compound,CCCCC/C=C\CC(=O)CC/C=C/C=C\[C@@H](CCCC(=O)O)O,AHHXLFNPCWCNQF-SOOJVSLFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481447,"10	11-dihydro-20-dihydroxy-LTB4",OtherMutliCpd,Compound,C(CCC(O)O)C/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O,BZDHSIPNZCHPKA-NSBXBVANSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481448,"10	11-dihydro-20-trihydroxy-leukotriene B4",OtherMutliCpd,Compound,C(CCC(O)(O)O)C/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O,LSVHZFZMMXHHBS-MNBASXMYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481449,"10	11-dihydro-leukotriene B4",OtherMutliCpd,Compound,CCCCC/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O,NKUPFHTVILUPKF-RNEQFKNCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481451,11'-Carboxy-alpha-chromanol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)C)O,FKTCHXAVPYGOSM-CUAXAMRHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
53481452,11'-Carboxy-alpha-tocotrienol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC(=O)O)C)O,LAVCYAUSHCEKED-KYVGBUAPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
53481453,11'-Carboxy-gama-chromanol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)O,IITULCXNOMOXAH-YYULODDRSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
53481454,11'-carboxy-gama-tocotrienol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC(=O)O)O,QRIWRFHSVDRBRJ-LNRRRGPJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,none,none,none,none,none,none
53481456,"12-oxo-10	11-dihydro-20-COOH-LTB4",OtherMutliCpd,Compound,C(CCC(=O)O)C/C=C\CC(=O)CC/C=C/C=C\[C@@H](CCCC(=O)O)O,RYMSXFPLTLWXCK-VJNSNPJLSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
53481457,12-Oxo-20-carboxy-leukotriene B4,OtherMutliCpd,Compound,C(CCC(=O)O)C/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O,VLMCDTMNMDDMLC-NZXMSVEXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
53481458,12-oxo-20-dihydroxy-leukotriene B4,OtherMutliCpd,Compound,C(CCC(O)O)C/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O,SBSLZLBZGOASJL-NZXMSVEXSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53481459,12-Oxo-20-hydroxy-leukotriene B4,OtherMutliCpd,Compound,C(CC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)CCO,CZWPUWRHQBAXJS-PABROBRYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53481460,12-Oxo-20-trihydroxy-leukotriene B4,OtherMutliCpd,Compound,C(CCC(O)(O)O)C/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O,QVZXILIWUPKGPA-CWJNPFRJSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53481461,13'-carboxy-alpha-tocopherol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(=O)O)C)O,NJIUWSABAIXPGI-AXTKCOKSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
53481462,13'-carboxy-alpha-tocotrienol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/C(=O)O)C)O,CBMCFKYSTHHHCC-QZDMETRGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
53481463,13'-Carboxy-gama-tocopherol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(=O)O)O,WPZHQZIUOXUCOK-PXUFRVCMSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
53481464,13AgamaTE,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C(=O)O)O,UJMZKOBSLDXUHY-YQHRJHOASA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
53481465,13'-hydroxy-alpha-tocopherol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)C)O,URYLCCKXLNXSRS-XIRVVSDESA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
53481466,13'-hydroxy-alpha-tocotrienol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(/C)\CO)C)O,OQCXIVSCFNNFEE-QFLITSPGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
53481467,13'-OH-tocopherol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CO)O,QNBPVJMQPAQXML-SLGTZZLGSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocopherols,none,none,none,none,none
53481468,13OHgamaTE,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CO)O,BUWYMGRHXZROTQ-XYSSNJNPSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,Vitamin E compounds,Tocotrienols,none,none,none,none,none
53481469,"13	14-Dihydro- lipoxin A4",OtherMutliCpd,Compound,CCCCC[C@H](CC/C=C\C=C\C=C\[C@H]([C@@H](CCCC(=O)O)O)O)O,WRFBDEURXXFJRY-WYMHFOEZSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481470,"13	14-Dihydro-15-oxo-lipoxin A4",OtherMutliCpd,Compound,CCCCCC(=O)CC/C=C\C=C\C=C\[C@H]([C@@H](CCCC(=O)O)O)O,FPRPRBFSKMFXRV-HJGGDGFVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481473,HMDB12576,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,FSCROZZUFXOEMF-AQSNFWIISA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 3-enoyl CoAs,none,none,none,none
53481476,15-Epi-lipoxin B5,OtherMutliCpd,Compound,CC/C=C\C[C@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](CCCC(=O)O)O)O)O,VLLDKSJDBRLUOY-XIFXWWOOSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosapentaenoic acids,none,none,none,none,none,none
53481477,15-Oxo-lipoxin A4,OtherMutliCpd,Compound,CCCCCC(=O)/C=C/C=C\C=C\C=C\[C@H]([C@@H](CCCC(=O)O)O)O,KMQGFEBCBYXSPZ-LGJFVLQCSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatetraenoic acids,Lipoxins,none,none,none,none,none
53481478,HMDB12593,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C[C@H](CCC/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O)O,APLMMNVXTIRDHJ-RWNJKCKMSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481480,HMDB12594,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,IPTNGKBINTWILB-MOGVCQQGSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
53481482,HMDB12597,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CCC/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,UNMYUSONOSUPAJ-WCKJHTGZSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
53481487,HMDB12606,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O,MWWKFDDOIUOYAX-IFCZKFNASA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
53481490,HMDB12608,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O,CQLBXHGTJMWNLT-YKCOLWQXSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481492,HMDB12609,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O,PBPMTFAECBJRFW-KBPAAJSHSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
53481494,HMDB12610,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,KBFUWUDFICVJDA-KIHQUBHDSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 2-enoyl CoAs,none,none,none,none
53481497,19-Hydroxydeoxycorticosterone,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34CO,LFISWQXWWGJHBL-RJPFGDFGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53481498,19-Oic-deoxycorticosterone,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C(=O)O,RUPOMAOZPOVHQZ-TTYNRZOGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53481499,19-Oxo-deoxycorticosterone,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C=O,PDNIPWXQYQYCSU-RJPFGDFGSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53481500,2-Hydroxyestrone sulfate,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)OS(=O)(=O)[O-],DTMWSKSAMRZGQH-PEDDLLMLSA-M,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
53481501,2-Hydroxyestrone-1-S-glutathione,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2=O)CCC4=CC(=C(C(=C34)SC[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)O)O,DGWRLJJHHOOYBF-DVFAMAHMSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481502,2-Hydroxyestrone-4-S-glutathione,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2=O)CCC4=C(C(=C(C=C34)O)O)SC[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N,ZKSQMGPMDHYFMB-GEAYSQNSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481503,HMDB12631,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O)O,JFQGNCZAHDITHX-FDOKEUHYSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481505,HMDB12632,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O,WLWKYZHFLKRKEU-WCOJVGLOSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481507,"20-COOH-10	11-dihydro-LTB4",OtherMutliCpd,Compound,C(CCC(=O)O)C/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O,BCZGHMCTSJAJRR-NSBXBVANSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
53481509,20-dihydroxyleukotriene B4,OtherMutliCpd,Compound,C(CCC(O)O)C/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O,ZZSBUQYGAPWEOJ-RMQNAGPKSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53481513,20-Trihydroxy-leukotriene-B4,OtherMutliCpd,Compound,C(CCC(O)(O)O)C/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O,UZWWTCBNUQJEPB-WLMOLUCVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53481514,"2beta	17beta-dihydroxyandrost-4-en-3-one",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=CC(=O)[C@H](C[C@]34C)O,ZOIPFFUVGMVQGE-MYLKINFHSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53481515,HMDB12674,OtherMutliCpd,Compound,CCCCCC/C=C\C[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,AYORDFMYYBNSBO-JPJFQEQPSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-hydroxyacyl CoAs,none,none,none,none,none
53481517,HMDB12715,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)O,WZMAIEGYXCOYSH-AJEXUEQGSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481520,4-Hydroxyestrone sulfate,OtherMutliCpd,Compound,C[C@@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)OS(=O)(=O)O,QIJNCQNMZUTUIF-KQWCVQSUSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
53481521,4-Hydroxyestrone-2-S-glutathione,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2=O)CCC4=C(C(=C(C=C34)SC[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)O)O,UKCFCQKNUGHMIT-GEAYSQNSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481522,4-methoxy-17beta-estradiol,OtherMutliCpd,Compound,C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4OC)O,BCWZIZLVBYHFES-BHFCKAAKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
53481523,HMDB12794,OtherMutliCpd,Compound,CC1=C(C(C(=O)CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,ZORDCCAUKPDLPN-ZBSJWCJSSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Retinoids,Retinoids,none,none,none,none,none,none
53481524,5'-Carboxy-alpha-chromanol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCCC(C)C(=O)O)C)O,QWPNLVBAEZJBMI-IMFVZPHKSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481525,5'-Carboxy-gama-chromanol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)C(=O)O)O,CNGKBUHOCIWLHJ-ADLMAVQZSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481526,5-Oxo-6-trans-leukotriene B4,OtherMutliCpd,Compound,CCCCC/C=C\C[C@H](/C=C/C=C/C=C/C(=O)CCCC(=O)O)O,MLZJFLKEKVDNAZ-BEWISGCMSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Leukotrienes,none,none,none,none,none,none
53481527,"6	7-dihydro-12-epi-LTB4",OtherMutliCpd,Compound,CCCCC/C=C\C[C@H](/C=C/C=C/CC[C@@H](CCCC(=O)O)O)O,ZMZNVSWCIRFLBV-GRXSAWGRSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481528,"6	7-dihydro-5-oxo-12-epi-LTB4",OtherMutliCpd,Compound,CCCCC/C=C\C[C@H](/C=C/C=C/CCC(=O)CCCC(=O)O)O,RUTQOBJLGHUCJC-ATHKOCGESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosatrienoic acids,none,none,none,none,none,none
53481529,7'-Carboxy-alpha-chromanol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCCC(C)CCC(=O)O)C)O,RXYXCDMLSTZSRY-QUXALOBESA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481530,7'-carboxy-alpha-tocotrienol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CCC(=O)O)C)O,UZOSSXSASNQFOI-FAKWYAOSSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481531,7'-Carboxy-gama-chromanol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC(=O)O)O,JFXDIXKMINYLIK-ZUOKHONESA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481532,7'-carboxy-gama-tocotrienol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CCC(=O)O)O,NECINJBBPZOJSN-QARGNGGGSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481534,9'-Carboxy-alpha-chromanol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@](OC2=C1C)(C)CCC[C@@H](C)CCCC(C)C(=O)O)C)O,CUGVBZDXUTZXJO-GCIQOJCMSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481535,9'-Carboxy-alpha-tocotrienol,OtherMutliCpd,Compound,CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/C(=O)O)C)O,MEZYOZBFEXYIKB-ASKDMKCJSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
53481536,9'-Carboxy-gama-chromanol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)C(=O)O)O,ODQOKHVJIYTOQE-NXHTTZLHSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,1-benzopyrans,none,none,none,none,none,none
53481537,9'-carboxy-gama-tocotrienol,OtherMutliCpd,Compound,CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/C(=O)O)O,QSRURDPJEKTSFH-ODPFLYRHSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
53481538,APELIN-13,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N,XXCCRHIAIBQDPX-YHQCEEEXSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481539,Arginine vasopressin 1-8,OtherMutliCpd,Compound,C1C[C@@H](N(C1)C(=O)[C@@H]2CSSCC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)O,SXYIOPJBWYQZRQ-VMPYSSHJSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481540,HMDB12911,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,ANLFIWCXIHNIAL-CAIMCJOESA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Enoyl CoAs,Long-chain enoyl CoAs,Long-chain 3-enoyl CoAs,none,none,none,none
53481542,HMDB12912,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,HSPIWFCPBFIZFA-YXOUQQAOSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,3-oxo-acyl CoAs,Long-chain 3-oxoacyl CoAs,none,none,none,none
53481544,CoA-20-COOH-LTE4,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,KONKGRIDBYMNKG-VSGWDHNFSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481546,CoA-omega-COOH-dinor-LTE4,OtherMutliCpd,Compound,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O,QFIFJHIRXMCJMO-GVVKVPPWSA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481548,HMDB12930,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O,NDDZLVOCGALPLR-JEAMVCTESA-J,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Very long-chain fatty acyl CoAs,none,none,none,none,none
53481559,"Estrone-2	3-quinone",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2=O)CCC4=CC(=O)C(=O)C=C34,WFPLOQDPWXNOST-PEDDLLMLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Estrane steroids,Estrogens and derivatives,none,none,none,none,none,none
53481562,HMDB12965,OtherMutliCpd,Compound,CC(C)C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C(CCC(=O)O)N,KTVPQHFLYINKPT-BWHZHEQWSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481563,Heptanoyl CoA,OtherMutliCpd,Compound,CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,CHVYGJMBUXUTSX-AXEMQUGESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53481564,Kinetensin 1-3,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)N,JXUGDUWBMKIJDC-MMWGEVLESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481565,Kinetensin 1-7,OtherMutliCpd,Compound,CC[C@@H](C)[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O)N,QMQIVQMAYCBWNH-BKRGGBFWSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481566,Kinetensin 1-8,OtherMutliCpd,Compound,CC[C@@H](C)[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O)N,KLNGALQMFAURPH-DCLZXSHISA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481567,Kinetensin 4-7,OtherMutliCpd,Compound,C1C[C@@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O,NKRLKOMBOSWILK-PLACYPQZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481568,Kinetensin 4-8,OtherMutliCpd,Compound,C1C[C@@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O,CCANVONJZOLPKG-MJXUZWQSSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481569,Ile-ala-arg-arg-his-pro-tyr-phe-leu,OtherMutliCpd,Compound,CC[C@H](C)[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@H](CC(C)C)C(=O)O)N,PANUJGMSOSQAAY-HAGIGRARSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481570,Leukotriene C5,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N,OSBTVMNXIHRFGN-KERZFGRDSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481571,LEUKOTRIENE D5,OtherMutliCpd,Compound,CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H]([C@@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N,RWLDHKGRPLNPBN-DSJHTHEWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Hydroxyeicosapentaenoic acids,none,none,none,none,none,none
53481572,Lipoyllysine,OtherMutliCpd,Compound,C1CSSC1CCCCC(=O)NCCCC[C@H](C(=O)O)N,COTIXRRJLCSLLS-PIJUOVFKSA-N,Organic compounds,Organoheterocyclic compounds,Dithiolanes,Lipoamides,Lipoamides,none,none,none,none,none,none
53481577,Neuromedin B (1-3),OtherMutliCpd,Compound,CC(C)C[C@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)CN,JVWPPCWUDRJGAE-JGVFFNPUSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481578,Neuromedin B (4-10),OtherMutliCpd,Compound,C[C@H]([C@H](C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N)O,MVOFLIKDVHKCBK-FVNKCRITSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481579,Neuromedin B,OtherMutliCpd,Compound,C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)CN)O,YPFNACALNKVZNK-ICQOWDAWSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481580,Neuromedin C 1-8,OtherMutliCpd,Compound,C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CC4=CN=CN4)NC(=O)[C@@H](CC(=O)N)NC(=O)CN,GGPOKZDOZLSFCF-CTQSJLOZSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481581,neuromedin C,OtherMutliCpd,Compound,C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H](CC(=O)N)NC(=O)CN,RWBLWXCGQLZKLK-FHOLMIEWSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481582,Neuromedin N (1-4),OtherMutliCpd,Compound,CC[C@@H](C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@H]([C@H](C)CC)C(=O)O)N,SKGLAZSLOGYCCA-PEFXOJROSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481583,Ile-Pro-Tyr-Ile-Leu;NN,OtherMutliCpd,Compound,CC[C@@H](C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O)N,NSLIVCMCAULZET-WFJLUAAKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481584,Neurotensin 1-10,OtherMutliCpd,Compound,CC(C)C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H]4CCC(=O)N4,HRJVZMYUVJBTHQ-AYDUOSKHSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481585,Neurotensin 11-13,OtherMutliCpd,Compound,CCC(C)[C@@H](C(=O)N[C@H](CC(C)C)C(=O)O)NC(=O)[C@@H](CC1=CC=C(C=C1)O)N,HVPPEXXUDXAPOM-WOFBESPQSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481589,Omega-Carboxy-trinor-leukotriene B4,OtherMutliCpd,Compound,C(C[C@H](/C=C\C=C\C=C\[C@H](C/C=C\CCC(=O)O)O)O)CC(=O)O,XWRIIHRGMKHPHN-LLVPEOCGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
53481590,Oxytocin 1-8,OtherMutliCpd,Compound,CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CSSC(C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)O)CC(=O)N)CCC(=O)N,XGKIWGGRSRCBRX-YOKTWZFESA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Oligopeptides,none,none,none,none,none
53481604,Somatostatin fragment 3-14,OtherMutliCpd,Compound,C[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](CCSSC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)C(C)O)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CC(=O)N)CCCCN)N)C(=O)O)CO)O,TZTLCJNYBHBVBN-DZCACUQDSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481605,HMDB13072,OtherMutliCpd,Compound,C[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](CCSSCC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@@H](C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O,KTEPWBJBSMMZIC-LJTSQLRWSA-N,Organic compounds,Organic Polymers,Polypeptides,none,Polypeptides,none,none,none,none,none,none
53481606,Tridecanoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,TZKUYUHMJHEXOQ-XILBVEEWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481608,Undecanoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O,IZWCGXGZGYKDHR-WMMBNDHFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,2--3--4-saturated fatty acyl CoAs,none,none,none,none,none
53481609,Xanthurenate-8-O-beta-D-glucoside,OtherMutliCpd,Compound,C1=CC2=C(C(=C1)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=CC2=O)C(=O)O,MYFHOUJDPFBJLH-XGJKELJWSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
53481610,7-Dehydropregnenolone,OtherMutliCpd,Compound,CC(=O)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,QTVNPWWLYMFLEI-IOHSXPNESA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Oxosteroids,20-oxosteroids,none,none,none,none,none,none
53481613,Hydroxypropionylcarnitine,OtherMutliCpd,Compound,C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCO,QJGJXKFJFRSERW-QMMMGPOBSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481617,Hydroxybutyrylcarnitine,OtherMutliCpd,Compound,CC(CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C)O,UEFRDQSMQXDWTO-GKAPJAKFSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481619,Valerylcarnitine,OtherMutliCpd,Compound,CCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C,VSNFQQXVMPSASB-JTQLQIEISA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481622,Glutarylcarnitine,OtherMutliCpd,Compound,C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCCC(=O)O,NXJAXUYOQLTISD-VIFPVBQESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481624,Hydroxyhexanoycarnitine,OtherMutliCpd,Compound,CCCC(CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C)O,VYEONLJQPYRKAN-DTIOYNMSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481626,Hydroxyvalerylcarnitine,OtherMutliCpd,Compound,CCC(CC(O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C)O,PSRQDLCMEPQOQH-YZRBJQDESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Fatty acids and conjugates,none,none,none,none,none,none
53481628,methylmalonylcarnitine,OtherMutliCpd,Compound,CC(C(=O)O)C(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C,XROYFEWIXXCPAW-MQWKRIRWSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481631,"1	5-dihydropyren-1-ol",OtherMutliCpd,Compound,C1C=C2C=CC(C3=C2C4=C(C=CC=C41)C=C3)O,CDYIVSAQQUIYKS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
53481632,12-Hydroxy-12-octadecanoylcarnitine,OtherMutliCpd,Compound,CCCCCCC(CCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O,QAIWREXEZLJMTC-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481634,16-alpha-Hydroxyandrosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H](CC1CCC3C2CC[C@]4(C3C[C@H](C4=O)O)C)O,HLQYTKUIIJTNHH-LIEJGXIJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53481635,18-Hydroxy-11-dehydrotetrahydrocorticosterone,OtherMutliCpd,Compound,C[C@]12CC[C@H](CC1CCC3C2C(=O)C[C@]4(C3CC[C@@H]4C(=O)CO)CO)O,UQRPWWKJWZFNAE-HATFOLNYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53481636,"1b	3a	7b-Trihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2[C@@H](CCCC(=O)O)O)[C@H](CC4[C@@]3([C@@H](C[C@H](C4)O)O)C)O,TVLHFFLEOSSHFT-QVLZICSDSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53481637,"2	3-Diaminosalicylic acid",OtherMutliCpd,Compound,C1=CC(=C(C(=C1N)N)C(=O)O)O,CGKSFNAGRBJNJO-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Aminobenzoic acids and derivatives,Aminobenzoic acids,none,none,none,none,none
53481640,2-Hydroxylauroylcarnitine,OtherMutliCpd,Compound,CCCCCCCCCCC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O,PBBJEGGNZPXIGJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481642,2-Hydroxymyristoylcarnitine,OtherMutliCpd,Compound,CCCCCCCCCCCCC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O,WWDZVVWQNWNRDM-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Acyl carnitines,none,none,none,none,none,none
53481644,3-Hydroxyhexdecanedioyl-CoA,OtherMutliCpd,Compound,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCCCCCCCCCCCC(=O)O)O)O,QNUDSTASHBDCFR-BIOGMENVSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acyl thioesters,Acyl CoAs,Long-chain fatty acyl CoAs,none,none,none,none,none
53481645,3-Indole carboxylic acid glucuronide,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=CN2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(=O)O)O)O)O,BDNWJTRKUBXAGH-DOVARBIBSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,O-glucuronides,none,none,none
53481646,"3a	7b	21-Trihydroxy-5b-cholanoic acid",OtherMutliCpd,Compound,C[C@]12CCC3C(C1CCC2[C@@H](C(CCC(=O)O)O)O)[C@H](CC4[C@@]3(CC[C@H](C4)O)C)O,JHBLUEHIRYMJOU-ZSFPCQDKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53481647,"5-Androstene-3alpha-16b	17b-triol",OtherMutliCpd,Compound,C[C@]12CCC3C(C1C[C@@H]([C@@H]2O)O)CC=C4[C@@]3(CC[C@H](C4)O)C,GUGSXATYPSGVAY-YAUITSCLSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Androstane steroids,Androgens and derivatives,none,none,none,none,none,none
53481648,5-hydroxytryptophol glucuronide,OtherMutliCpd,Compound,C1=CC2=C(C=C1O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=CN2)CCO,MYNVMBICAGQOMG-LJIZCISZSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Glycosyl compounds,Phenolic glycosides,none,none,none,none,none
53481655,Alanyl tryptophan,OtherMutliCpd,Compound,C[C@@H](C(=O)N[C@@H](CC1=CC2=CC=CC=C2N1)C(=O)O)N,CBUUWFVFZSZOAK-UFBFGSQYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Peptides,Dipeptides,none,none,none,none,none
53481657,Beta-Cortolone,OtherMutliCpd,Compound,C[C@]12CC[C@@H](CC1CCC3C2C(=O)C[C@]4(C3CC[C@]4(C(CO)O)O)C)O,JXCOSKURGJMQSG-YDGYSZIMSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Hydroxysteroids,21-hydroxysteroids,none,none,none,none,none,none
53481658,Epitestosterone sulfate,OtherMutliCpd,Compound,C[C@]12CCC3[C@H](C1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@]34C,WAQBISPOEAOCOG-FZPSTPAASA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
53481659,Etiocholanolone sulfate,OtherMutliCpd,Compound,C[C@]12CC[C@H](C[C@H]1CCC3C2CC[C@]4(C3CCC4=O)C)OS(=O)(=O)O,ZMITXKRGXGRMKS-ZQSLQREJSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Sulfated steroids,Sulfated steroids,none,none,none,none,none,none
53481662,Pentacosanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O,VUYRTQJMRATAFS-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
53481663,Pentadecanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(=O)NCC(=O)O,GFPGAMQTXLSWHM-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
53481664,Pristanoylglycine,OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O,ILSMDNVBZYGMDG-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Diterpenoids,Acyclic diterpenoids,none,none,none,none,none,none
53481665,Tetracosanoylglycine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O,ALGJSAHUUYIAIZ-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,N-acyl-alpha amino acids and derivatives,N-acyl-alpha amino acids,none,none,none
53481673,Dodecanedioylcarnitine,OtherMutliCpd,Compound,C[N+](C)(C)[C@H](CCC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)O,VJPIDPQNAYWULC-INIZCTEOSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
53481675,Pimelylcarnitine,OtherMutliCpd,Compound,C[N+](C)(C)[C@H](CCC(=O)[O-])OC(=O)CCCCCC(=O)O,AUWRHMAICBSXMC-NSHDSACASA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
53481691,3-Hydroxyhexadecanoylcarnitine,OtherMutliCpd,Compound,CCCCCCCCCCCCCC(CC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C)O,MHJOYNGEDDXLLU-LBAQZLPGSA-N,Organic compounds,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,Beta hydroxy acids and derivatives,none,none,none,none,none,none
53481693,2-Hydroxyhexadecanoylcarnitine,OtherMutliCpd,Compound,CCCCCCCCCCCCCCC(C(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C)O,ALAYOLIEZSXQPY-LBAQZLPGSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
53481777,C14:1-OH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCC/C=C\CCCC)O)O,ZNHNJXWKKQKMBU-POWUNZFVSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481779,C16:1-OH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCC/C=C\CCCCCC)O)O,LPHMSPONPQCKTL-FKUNDBCPSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481781,SM(d18:0/16:1(9Z)),OtherMutliCpd,Compound,CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCC)O,CGVOQSQIYSUXAT-PPLFXBRHSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481783,"SM(d18:0/20:2(11Z	14Z))",OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O,YVTVVJRJLRHYSJ-XJRFMCMQSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481785,C22:1-OH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCC/C=C\CCCCCCCC)O)O,ZUSFLIGNJFDBRL-FYGIKZFGSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481787,C22:2-OH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCC/C=C\C/C=C\CCCCC)O)O,DRKCMBAZIYFIGX-ZWLRGCNFSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481789,"SM(d18:0/22:3(10Z	13Z	16Z))",OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)O,YTQGMICAWXIKQI-OIMFMVRSSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481791,C24:1-OH Sphingomyelin,OtherMutliCpd,Compound,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCC/C=C\CCCCCCCC)O)O,IOOMOQUTKQGEFH-BSZNTFKYSA-N,Organic compounds,Lipids and lipid-like molecules,Sphingolipids,Phosphosphingolipids,Phosphosphingolipids,none,none,none,none,none,none
53481796,HMDB13474,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O,MLFQGWUBXMEBIG-QPPIDDCLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerophosphates,Phosphatidylglycerophosphates,none,none,none,none,none,none
53481821,HMDB13502,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC,XHQRSMDNNVZHKZ-QPPIDDCLSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerophospholipids,Glycerophosphoglycerophosphates,Phosphatidylglycerophosphates,none,none,none,none,none,none
53481910,Lipoyl-GMP,OtherMutliCpd,Compound,C1CSSC1CCCCC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,DVZGUOFXTLKZTJ-LQLSJNDNSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside monophosphates,none,none,none,none,none,none
53481913,(S)-Hydroxyoctadecanoyl-CoA,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2C=CN=C3N)O)OP(=O)(O)O)O)O,OUPPHAYXPJVNAY-UHFFFAOYSA-N,Organic compounds,Nucleosides-- nucleotides-- and analogues,Imidazole[4--5-c]pyridine ribonucleosides and ribonucleotides,none,Imidazole[4--5-c]pyridine ribonucleosides and ribonucleotides,none,none,none,none,none,none
53481914,HMDB13646,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@@H]([C@@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O,FGOYXNBJKMNPDH-HPXJRWHBSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside triphosphates,none,none,none,none,none,none
53481915,Adenosine thiamine diphosphate,OtherMutliCpd,Compound,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@@H]([C@@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O,YLSJMTRFGUMRTH-HPXJRWHBSA-O,Organic compounds,Nucleosides-- nucleotides-- and analogues,Purine nucleotides,Purine ribonucleotides,Purine ribonucleoside diphosphates,none,none,none,none,none,none
53495985,(R)-Byakangelicinn 2'-(3-methylbutanoate),OtherMutliCpd,Compound,CC(C)CC(=O)OC(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C(C)(C)O,BMKRDVAEOSDNPJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,5-methoxypsoralens,none,none,none,none
53656633,8-(5-HEXYLOXOLAN-2-YL)OCTANOIC ACID,OtherMutliCpd,Compound,CCCCCCC1CCC(O1)CCCCCCCC(=O)O,AQIVDANQKWQSRX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Eicosanoids,Prostaglandins and related compounds,none,none,none,none,none,none
53785840,SCHEMBL17963719,OtherMutliCpd,Compound,C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC(=C(C=C3)O)O,DYLLIDCIKLUGBZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,Isoflavans,Isoflavanones,none,none,none,none,none,none
53796934,"2'	5-Dihydroxy-4'	7-dimethoxyisoflavone",OtherMutliCpd,Compound,COC1=CC(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC)O,FFQUCBRHHMKGND-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Isoflavonoids,O-methylated isoflavonoids,7-O-methylated isoflavonoids,7-O-methylisoflavones,none,none,none,none,none
54082727,"1	28-Octacosanediol",OtherMutliCpd,Compound,C(CCCCCCCCCCCCCCO)CCCCCCCCCCCCCO,MOGIDESHHYPDTP-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
54322089,4-Hydroxyenterodiol,OtherMutliCpd,Compound,C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=C(C=C2)O)O)CO,SSJFHTSLUHPBHD-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Dibenzylbutane lignans,Dibenzylbutanediol lignans,Dibenzylbutanediol lignans,none,none,none,none,none,none
54601877,NSC288031,OtherMutliCpd,Compound,CC(/C=C\C=C(/C)\C1CNC(C1CC(=O)O)C(=O)O)C(=O)O,VZFRNCSOCOPNDB-VOGDQUTBSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Kainoids,none,none,none,none,none
54603882,CINNAMYL ANTHRANILATE,OtherMutliCpd,Compound,C1=CC=C(C=C1)/C=C\COC(=O)C2=CC=CC=C2N,none,none,none,none,none,none,none,none,none,none,none,none
54676038,dicumarol,OtherMutliCpd,Compound,C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O,DOBMPNYZJYQDGZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,4-hydroxycoumarins,none,none,none,none,none,none
54676825,ASCORBYL PALMITATE,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O,QAQJMLQRFWZOBN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
54676866,Ascorbyl stearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O,LITUBCVUXPBCGA-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
54678486,warfarin,OtherMutliCpd,Compound,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,PJVWKTKQMONHTI-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,4-hydroxycoumarins,none,none,none,none,none,none
54678599,TENUAZONIC ACID,OtherMutliCpd,Compound,CCC(C)C1C(=C(C(=O)N1)C(=O)C)O,CEIZFXOZIQNICU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolines,none,Pyrrolines,none,none,none,none,none,none
54679630,"4	7-Dihydroxycoumarin",OtherMutliCpd,Compound,C1=CC2=C(C=C1O)OC(=O)C=C2O,CYSRKZFPSNZSCS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
54688597,Zanthobisquinolone,OtherMutliCpd,Compound,CN1C2=CC=CC=C2C(=C(C1=O)CC3=C(C4=CC=CC=C4N(C3=O)C)O)O,JCLGYGPWVWEPSU-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Quinolines and derivatives,Hydroxyquinolines,Hydroxyquinolines,none,none,none,none,none,none
54695756,Pogostone,OtherMutliCpd,Compound,CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O,AJFJTORMMHWKFW-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
54714260,Gerberinol,OtherMutliCpd,Compound,CC1=C2C(=CC=C1)OC(=O)C(=C2O)CC3=C(C4=C(C=CC=C4OC3=O)C)O,JUCUEMBIORWHSB-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,4-hydroxycoumarins,none,none,none,none,none,none
54715139,MFCD00003700,OtherMutliCpd,Compound,C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=C(C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)C(=O)N)O)N(C)C)O)O,JLGOGFIHBRJQHY-PXOLEDIWSA-N,Organic compounds,Phenylpropanoids and polyketides,Tetracyclines,none,Tetracyclines,none,none,none,none,none,none
54730624,Xercomic acid,OtherMutliCpd,Compound,C1=CC(=CC=C1/C(=C\2/C(=C(C(=O)O2)C3=CC(=C(C=C3)O)O)O)/C(=O)O)O,LJVSOLKVNIGBDE-JQIJEIRASA-N,Organic compounds,Benzenoids,Phenols,Benzenediols,Catechols,none,none,none,none,none,none
55272645,AKOS006321829,OtherMutliCpd,Compound,CC(C)CCC1=CC2=C(N1)N=CC=C2,XBGGOCFKYZBURE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolopyridines,none,Pyrrolopyridines,none,none,none,none,none,none
55287504,4-hydroxy-1H-pyrrole-2-carboxylic acid,OtherMutliCpd,Compound,C1=C(NC=C1O)C(=O)O,FCGOBISRCUOUQH-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Pyrrole carboxylic acids and derivatives,Pyrrole carboxylic acids,Pyrrole 2-carboxylic acids,none,none,none,none,none
55288987,(3-Nitroamino)alanine,OtherMutliCpd,Compound,C(C(C(=O)O)N)N[N+](=O)[O-],QMXHUFVYJLFLRY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
55297595,3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole,OtherMutliCpd,Compound,CC1=CC=C(O1)CC2=CNC=C2,WKJYTIFWOMZIGZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrroles,Substituted pyrroles,Substituted pyrroles,none,none,none,none,none,none
56658060,DIHYDROISORHAMNETIN,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,JWYULKXTGMJKKM-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,O-methylated flavonoids,3'-O-methylated flavonoids,none,none,none,none,none,none
56671053,"3-[(4	5-dihydroxy-3-{[3	4	5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3	4	5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3	4-dihydroxyphenyl)-5	7-dihydroxy-1$l;{4}-chromen-1-ylium",OtherMutliCpd,Compound,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O,MSUVUDCULKNUJL-UHFFFAOYSA-O,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Anthocyanins,Anthocyanidin-3-O-glycosides,none,none,none,none
56673984,"(24R)-5b	8b-Epidioxyergosta-6	22E-dien-3b-ol 3-glucoside",OtherMutliCpd,Compound,CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)OO4)C,none,none,none,none,none,none,none,none,none,none,none,none
56776191,MolPort-019-936-780,OtherMutliCpd,Compound,CC(C)CC(=O)OC(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C(C)(C)O,AEXJMQYVIPHZDJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Linear furanocoumarins,Psoralens,none,none,none,none,none
56776263,HQKAYCHMYMSSEQ-AUWJEWJLSA-N,OtherMutliCpd,Compound,C/C=C(/C)\C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C,HQKAYCHMYMSSEQ-AUWJEWJLSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Furanocoumarins,Angular furanocoumarins,none,none,none,none,none,none
56776316,Macrocarpal J,OtherMutliCpd,Compound,CC(C)CC(C1CCC(C2C1(CCC(C2)C(C)(C)O)C)(C)O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O,PXQFFMATXFLUPK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Eudesmane-- isoeudesmane or cycloeudesmane sesquiterpenoids,none,none,none,none,none,none
56842347,Oleuropein aglycone,OtherMutliCpd,Compound,C/C=C/1\[C@@H](C(=CO[C@H]1O)C(=O)OC)CC(=O)OCCC2=CC(=C(C=C2)O)O,BIWKXNFEOZXNLX-BBHIFXBUSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Iridoids and derivatives,none,none,none,none,none,none
56842615,bisabolene oxide,OtherMutliCpd,Compound,CC1CC(OC12CCC(=CC2)C)C=C(C)C,DEIBHEUILKXZOZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
56941146,Epicatechin-(6'->8)-epicatechin,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3C4=C5C(=C(C=C4O)O)CC(C(O5)C6=CC(=C(C=C6)O)O)O)O)O)O,NFKUCWGVXFRSRX-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
56961712,Gambiriin A1,OtherMutliCpd,Compound,C1C(C(OC2=C1C(=CC(=C2C(C3=CC(=C(C=C3)O)O)C(CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O,AAOPKIFUFWCDQZ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,none,none,none,none,none
56968446,1-Acetoxy-2-hydroxy-16-heptadecen-4-one,OtherMutliCpd,Compound,CC(=O)OCC(CC(=O)CCCCCCCCCCCC=C)O,MSSXBCMVFDVFJB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
57043798,"triacontane-1	11-diol",OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)O,FFFLUGIGEZHIBO-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
57331044,Isorhamnetin 4'-O-glucuronide,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,NCHMCZDLVWDQLC-YWQONGFDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,none,none,none,none,none
57350395,3-(Methylthio)heptanal,OtherMutliCpd,Compound,CCCCC(CC=O)SC,RQOSXGWCILNIKB-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Aldehydes,Alpha-hydrogen aldehydes,none,none,none,none,none
57351134,Hexyl 2-methyl-4-pentenoate,OtherMutliCpd,Compound,CCCCCCOC(=O)C(C)CC=C,GEDRGVNPMIOGRX-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
57357311,TANAKINE,OtherMutliCpd,Compound,CC(C)(C(CC1=CNC2=CC=CC=C21)O)O,JPRWHAIHJJJQTF-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,3-alkylindoles,none,none,none,none,none,none
57357510,ALDOSINE,OtherMutliCpd,Compound,C1CC(NC(C1)C(=O)O)C2=CNC(CC2)C(=O)O,FZNMMFIPIGBAJL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alpha amino acids,none,none,none,none
57358374,"Vanillin butane-2	3-diol acetal",OtherMutliCpd,Compound,CC1C(OC(O1)C2=CC(=C(C=C2)O)OC)C,JZJHVHUFPUYAJF-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Methoxyphenols,none,none,none,none,none,none
57418214,"10	11	14	15	18	19-Hexahydrogeranylfarnesol",OtherMutliCpd,Compound,CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C/CO)/C)/C,QVAALZYWZYXTTP-OCQYTUGVSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,none,none,none,none,none,none
57449463,6-Deoxyfagomine,OtherMutliCpd,Compound,CC1C(C(CCN1)O)O,RMJCALHKIHCSMY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Piperidines,none,Piperidines,none,none,none,none,none,none
57457805,SCHEMBL1044256,OtherMutliCpd,Compound,CC1(CCCC2(C1CCC3(C2C/C=C\4/CCOC4=O)CO3)C)C,MBPTXJNHCBXMBP-RZNTYIFUSA-N,Organic compounds,Organoheterocyclic compounds,Lactones,Gamma butyrolactones,Gamma butyrolactones,none,none,none,none,none,none
57473060,Deterrol stearate,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCC(=O)OCC1=C2C=C(C=CC(=C2C=C1)C)C(=C)C,LIMRDFZTVWETFB-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
57473083,"2	6	10	10-tetramethyl-1-oxaspiro[4.5]dec-6-ene-2	8-diol",OtherMutliCpd,Compound,CC1=CC(CC(C12CCC(O2)(C)O)(C)C)O,SJZGKFZUNCXEEW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Tetrahydrofurans,none,Tetrahydrofurans,none,none,none,none,none,none
57483158,2-Isopropyl citrate,OtherMutliCpd,Compound,CC(C)OC(=O)C(CC(=O)O)(CC(=O)O)O,VRBUFFFVTDWWMY-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
57500615,ZINC8616482,OtherMutliCpd,Compound,CCC(=O)OC/C=C\C1=CC=CC=C1,KGDJMNKPBUNHGY-TWGQIWQCSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
57509249,FEMA No. 3788,OtherMutliCpd,Compound,CC(C(=O)SC)OC(=O)C,BYXWIZRQYXPTSL-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Thiocarboxylic acids and derivatives,Thioesters,Thioesters,none,none,none,none,none,none
57509382,No_auto_id,OtherMutliCpd,Compound,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O,MGAFCXOXRHSKIA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-3-O-glycosides,none,none,none,none,none
57509397,"1	4-dimethyl-7-(prop-1-en-2-yl)-decahydroazulene-1	4-diol",OtherMutliCpd,Compound,CC(=C)C1CCC(C2CCC(C2C1)(C)O)(C)O,RQHOQQOEZPFYTD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Guaianes,none,none,none,none,none,none
57515151,5'-Hydroxycastavinol,OtherMutliCpd,Compound,CC(=O)C1(C2C(C(O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O)C,ADFRCNLBRJARNV-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Epigallocatechins,none,none,none,none
57524537,Epitheaflavic acid 3'-gallate,OtherMutliCpd,Compound,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C(=O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O,RQTWDINIJYBFNS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavans,Flavan-3-ols,Catechins,Catechin gallates,none,none,none,none
58114970,Oryzarol,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC=C)OC,QZCTXVLQHKKTGL-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
58446461,UNII-3783R4H669,OtherMutliCpd,Compound,CC1=CC(=C(C(=C1)O)C(C)C)C(C)C,VCHHFAUHGLYASU-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Aromatic monoterpenoids,none,none,none,none,none,none
59010767,(+)-Catechin 6-C-glucoside,OtherMutliCpd,Compound,C1C(C(OC2=CC(=C(C(=C21)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O)O,PWMSPKVTJLJDDS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid C-glycosides,none,none,none,none,none,none
59039607,ZINC8614606,OtherMutliCpd,Compound,CC(=O)/C=C\C1=CC(=C(C=C1)O)OC,AFWKBSMFXWNGRE-ARJAWSKDSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,none,none,none,none,none,none
59235421,SCHEMBL13430937,OtherMutliCpd,Compound,C1=C(C=C(C(=C1O)O)O)C(=O)OC(C2C(C(C(=O)O2)O)O)C(=O)O,SVYWZVZMBHFNGC-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Benzoic acids and derivatives,Hydroxybenzoic acid derivatives,Gallic acid and derivatives,Galloyl esters,none,none,none,none
59271038,Cycloartanyl ferulate,OtherMutliCpd,Compound,CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C,MFIVAYYVKCBONU-GHRIWEEISA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Cycloartanols and derivatives,Cycloartanols and derivatives,none,none,none,none,none,none
59288250,Ajocysteine,OtherMutliCpd,Compound,C=CCS(=O)C/C=C/SSCC(C(=O)O)N,URBPKPSYQPHFAT-ONEGZZNKSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Cysteine and derivatives,none,none,none,none
59441520,SCHEMBL9974060,OtherMutliCpd,Compound,CC(C(=O)O)N1/C(=C/C2=CC=CO2)/C(=O)C(=C1C3=CC=CO3)/C(=C\C4=CC=CO4)/C=O,WKLHCENPFNYZSQ-DARJFKRNSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Amino acids-- peptides-- and analogues,Amino acids and derivatives,Alpha amino acids and derivatives,Alanine and derivatives,none,none,none,none
59492121,Chamaemeloside,OtherMutliCpd,Compound,CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O,WWGLAVUKYJELNJ-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid-7-O-glycosides,none,none,none,none,none
59561170,4-Formyl-3-(formylmethyl)-4-hexenoic acid,OtherMutliCpd,Compound,C/C=C(/C=O)\C(CC=O)CC(=O)O,DBMWDRVDXUPGBP-UQCOIBPSSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Medium-chain fatty acids,none,none,none,none,none,none
59806994,Ginsenoside Rg5,OtherMutliCpd,Compound,CC(=CC/C=C(/C)\C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)C,NJUXRKMKOFXMRX-JJFYIABZSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Triterpenoids,Triterpenoids,none,none,none,none,none,none
60123241,beta-sitostenone,OtherMutliCpd,Compound,CC[C@H](CC[C@@H](C)C1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)C(C)C,RUVUHIUYGJBLGI-AXAJWWPKSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Stigmastanes and derivatives,Stigmastanes and derivatives,none,none,none,none,none,none
67261902,SCHEMBL2053663,OtherMutliCpd,Compound,CC1=C(C(=C(C2=C1OC3=C(C2=O)C(=C(C=C3)CC=C(C)C)O)O)CC=C(C)C)O,QPSZSDVSMAQDTD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
67261975,SCHEMBL2053786,OtherMutliCpd,Compound,CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C(=C(C=C3O2)O)CC=C(C)C)O)C(=O)O)C,PMZNKPZOEBJGNV-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,8-prenylated xanthones,none,none,none
67322417,SCHEMBL2222203,OtherMutliCpd,Compound,COC1=CC(=C(C(=C1)/C=C/C2=CC=CC=C2)C(=O)O)O,PICDNGANOHNCPT-BQYQJAHWSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
67738066,Heptadecanoylbenzoylmethane,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1,MVJPWTFBRAZGDC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Phenylketones,Alkyl-phenylketones,none,none,none
67760064,SCHEMBL9052331,OtherMutliCpd,Compound,CC1(C2CCC(C2)C1=C)O,RZEAOYIZHBELOJ-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Monoterpenoids,Bicyclic monoterpenoids,none,none,none,none,none,none
68597137,SCHEMBL3326825,OtherMutliCpd,Compound,CC(=O)OC1=C(C=C(C=C1OC)OC)OC,LQLIWGLJAHTMMY-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol esters,none,Phenol esters,none,none,none,none,none,none
68968644,Isoamyl 4-(2-furan)butyrate,OtherMutliCpd,Compound,CC(C)CCOC(=O)CCCC1=CC=CO1,RDRMEIURGDBOHW-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
69131015,"Isoquinoline	 6	7-dimethoxy-1-methyl-	 2-oxide",OtherMutliCpd,Compound,CC1=[N+](C=CC2=CC(=C(C=C12)OC)OC)[O-],GVQWAJKTFATJEW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Isoquinolines and derivatives,none,Isoquinolines and derivatives,none,none,none,none,none,none
70378439,SCHEMBL10492080,OtherMutliCpd,Compound,C1=CC=C(C=C1)CCNC(=O)C(C(C2=CC=CC=C2)O)O,BXCFCVVLKIBDIH-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,none,Benzene and substituted derivatives,none,none,none,none,none,none
70678574,chondroitin 4'-sulfate(2-),OtherMutliCpd,Compound,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O,AVJBPWGFOQAPRH-MMPMEFKSSA-L,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Aminosaccharides,Amino sugars,Acylaminosugars,none,none,none,none
70684457,CHEMBL2064612,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C3=C2C=CC(O3)(C)C)C(=O)CCC)O,SMRSMFDNXPPPCA-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Pyranocoumarins,Angular pyranocoumarins,none,none,none,none,none,none
70689919,Garcinone A,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C(=C1O)CC=C(C)C)OC3=C(C2=O)C=CC(=C3)O)O)C,HHHZYUKPVCUMDR-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,4-prenylated xanthones,none,none,none
71307362,160623-47-2,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)O)O)OC)O)C,XOFZQNNUVXEIJS-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Dibenzopyrans,Xanthenes,Xanthones,2-prenylated xanthones,none,none,none
71308241,Momordol,OtherMutliCpd,Compound,CCC1C(=O)C=CC(C1(C)CCCC(C)CCC(C)C(CC(C(CC)CO)O)O)(C)O,HDAGCVMZABLHLE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Long-chain fatty alcohols,none,none,none,none,none,none
71313206,"1	6-Dimethyl-1H-furo[3	2-b]imidazo[4	5-e]pyridin-2-amine",OtherMutliCpd,Compound,CC1=CC2=C(O1)C=C3C(=N2)N=C(N3C)N,MUFPYNUSILUNGN-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Imidazopyridines,none,Imidazopyridines,none,none,none,none,none,none
71315012,Curcumin beta-D-glucuronide,Drug,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OC)O,BNSAVBGHRVFVNN-XSCLDSQRSA-N,Organic compounds,Phenylpropanoids and polyketides,Diarylheptanoids,Linear diarylheptanoids,Curcuminoids,none,none,none,none,none,none
71331637,"1-Propanone	 1-(2	3-dihydro-7-methyl-1H-pyrrolizin-5-yl)-",OtherMutliCpd,Compound,CCC(=O)C1=CC(=C2N1CCC2)C,COEUIAKZDWIIQD-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
71343858,141620-04-4,OtherMutliCpd,Compound,C1=CC=C(C=C1)OCCCCCCCCCCCOC2=CC=CC=C2,ZPWUBAJYGXZRQA-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
71347088,1-(5-METHYLPYRIDIN-3-YL)DECAN-1-ONE,OtherMutliCpd,Compound,CCCCCCCCCC(=O)C1=CC(=CN=C1)C,DDGAOBFOWITDPC-UHFFFAOYSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Ketones,Aryl ketones,Aryl alkyl ketones,none,none,none,none
71358480,9-(4-HYDROXYPHENYL)-2-METHOXY-1H-PHENALEN-1-ONE,OtherMutliCpd,Compound,COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=C(C=C4)O)C1=O,PXMSSFOVGYLJLV-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
71361317,"1	3-Benzodioxole	 5-(4	4-dimethyl-5-hexenyl)-",OtherMutliCpd,Compound,CC(C)(CCCC1=CC2=C(C=C1)OCO2)C=C,IHMNTQCUAJQGEX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzodioxoles,none,Benzodioxoles,none,none,none,none,none,none
71391107,"1H-Indole-3-acetic acid	 2	3-dihydro-5-hydroxy-2-oxo-	 methyl ester",OtherMutliCpd,Compound,COC(=O)CC1C2=C(C=CC(=C2)O)NC1=O,PQPVNWBNDOFPBO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
71437947,Isocycloheterophyllin,OtherMutliCpd,Compound,CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC4=C(C2=O)CC(=C(C)C)OC5=CC(=C(C=C54)O)O)O)C,PNKNNRLOQYRSCW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Benzopyrans,1-benzopyrans,Pyranochromenes,none,none,none,none,none,none
71438014,5085-54-1,OtherMutliCpd,Compound,CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CCC)O)CC=C(C)C)O,KXLBWJRELYDBOS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
71438453,"2	6-dimethoxyphenanthren-4-ol",OtherMutliCpd,Compound,COC1=CC2=C(C=CC3=CC(=CC(=C32)O)OC)C=C1,NTVJURNVFOEVHP-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenanthrenes and derivatives,Phenanthrols,Phenanthrols,none,none,none,none,none,none
71578617,Triferulic acid,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)/C=C/C(=O)O)O/C(=C\C2=CC(=C(C(=C2)C3=CC(=CC(=C3O)OC)/C=C/C(=O)O)O)OC)/C(=O)O,PIXLMMCJKULCET-VVYRROKUSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Biphenyls and derivatives,Biphenyls and derivatives,none,none,none,none,none,none
71586903,UNII-AX5QW8656N,OtherMutliCpd,Compound,CC(=C)C(CC(=O)O)CC(=O)O,PULOWZXUQOLRBK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Branched fatty acids,Methyl-branched fatty acids,none,none,none,none,none
71587497,UNII-8BP9RH38AA,OtherMutliCpd,Compound,CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O,QILIJDWPBISFBO-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
71587802,N-Gluconyl ethanolamine phosphate,OtherMutliCpd,Compound,C(COP(=O)(O)O)NC(=O)[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,JNXDTQSHHDGYGF-JRTVQGFMSA-N,Organic compounds,Organic acids and derivatives,Organic phosphoric acids and derivatives,Phosphate esters,Phosphoethanolamines,none,none,none,none,none,none
71587848,UNII-DQA6X1461S,OtherMutliCpd,Compound,CCCCCC(=O)OC(C)(C)CC1=CC=CC=C1,IRKDZQZMTAKZKQ-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenylpropanes,Phenylpropanes,none,none,none,none,none,none
71664720,"4alpha	8':4'alpha	8''-Ter[(2R)-3beta	5	7-trihydroxy-3	4-dihydro-2alpha-(3	4	5-trihydroxyphenyl)-2H-1-benzopyran]",OtherMutliCpd,Compound,C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@H]5[C@@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O,NVTLDVSBUJGIAD-QHBXHTPSSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Biflavonoids and polyflavonoids,Biflavonoids and polyflavonoids,none,none,none,none,none,none
71749556,1258842-19-1,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)/C=C/C(=O)O)OS(=O)(=O)O,DCMKMHVTKFJMAU-HWKANZROSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Hydroxycinnamic acids and derivatives,Coumaric acids and derivatives,none,none,none,none,none,none
71752221,sorafenib glucuronide,Drug,Compound,CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)N([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)Cl)C(F)(F)F,HALZWBPBJOJUOZ-QMDPOKHVSA-N,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,Sugar acids and derivatives,Glucuronic acid derivatives,Glucuronides,N-glucuronides,none,none,none
71777476,Hesperetin 7-glucuronide,OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O,NEAWXAXVQDDFJL-PLEVBHNASA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
72792340,PL045739,OtherMutliCpd,Compound,CC(C)C(C)CC(C(=C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O,none,none,none,none,none,none,none,none,none,none,none,none
73085406,PL045740,OtherMutliCpd,Compound,CC(C)C(C)CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O,none,none,none,none,none,none,none,none,none,none,none,none
73198950,No_auto_id,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O,none,none,none,none,none,none,none,none,none,none,none,none
73753379,PL048598,OtherMutliCpd,Compound,CC(=O)OCC1(CC23CCC4C(CCCC4(C2CCC1C3)C)(C)C=O)O,none,none,none,none,none,none,none,none,none,none,none,none
74029732,No_auto_id,OtherMutliCpd,Compound,CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC,none,none,none,none,none,none,none,none,none,none,none,none
74328989,Seco-isolariciresinol diglucoside,OtherMutliCpd,Compound,COC1=C(C=CC(=C1)CC(COC2C(C(C(C(O2)CO)O)O)O)C(CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)O,SBVBJPHMDABKJV-UHFFFAOYSA-N,Organic compounds,Lignans-- neolignans and related compounds,Lignan glycosides,none,Lignan glycosides,none,none,none,none,none,none
75306806,"Glycerol 1	3-didodecanoate 2-decanoate",OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC,NTSSIIDXDVUTDN-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Glycerolipids,Triradylcglycerols,Triacylglycerols,none,none,none,none,none,none
76401227,MolPort-039-101-231,OtherMutliCpd,Compound,CC(C)C1=C(C2=C(C(=C1O)O)C34CCCC(C3C(C2OC)OC4=O)(C)C)OC,DHNUPRDARUHAJK-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Terpene lactones,Diterpene lactones,none,none,none,none,none,none
76959109,UNII-629O3H07D9,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C(=C4)O)O)O)O,DMDNCGKEYCRXOR-CVPXIJHMSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
76961376,ZINC14589059,OtherMutliCpd,Compound,CCC[C@@H](CCOC(=O)CCC)S,TZNJKOLXWHXDAF-VIFPVBQESA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,Fatty acid esters,none,none,none,none,none,none
76966715,UNII-P0PUY7ZN10,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O,DIBOSYWBDWWWDM-HAQXZMAGSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,Flavonoid-7-O-glucuronides,none,none,none,none
76970196,UNII-2A0M9HOF8Z,OtherMutliCpd,Compound,C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O,CQDATFYRGVZXLF-ZVHNUXTDSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,none,none,none,none,none
76972097,UNII-82L743IJNX,OtherMutliCpd,Compound,COC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H]3[C@@H](CC4=C(C=C(C=C4O3)O)O)O)O,DAQFRQALPPBZDR-QVHNSLLPSA-N,Organic compounds,Phenylpropanoids and polyketides,Flavonoids,Flavonoid glycosides,Flavonoid O-glycosides,Flavonoid O-glucuronides,none,none,none,none,none
84777014,"4-Chloro-3	5-dimethoxybenzyl alcohol",OtherMutliCpd,Compound,COC1=CC(=CC(=C1Cl)OC)CO,NEORIYMPRMFPGM-UHFFFAOYSA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Methoxybenzenes,Dimethoxybenzenes,none,none,none,none,none,none
85041613,PL045738,OtherMutliCpd,Compound,CC(C)C(C)CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O,KQBCIGPPRFLKLS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Steroids and steroid derivatives,Bile acids-- alcohols and derivatives,Hydroxy bile acids-- alcohols and derivatives,Pentahydroxy bile acids-- alcohols and derivatives,none,none,none,none,none
85101044,No_auto_id,OtherMutliCpd,Compound,CCCCOC(=O)CC1(C(OC1=O)C(=O)OCCCC)O,TYDSJOYVIREIOH-UHFFFAOYSA-N,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Tricarboxylic acids and derivatives,Tricarboxylic acids and derivatives,none,none,none,none,none,none
85266197,Verimol H,OtherMutliCpd,Compound,CC1C(OC(C(O1)C2=CC=C(C=C2)OC)C)C3=CC=C(C=C3)OC,TWEGIGPRPZZEHS-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,Anisoles,Anisoles,none,none,none,none,none,none
85319558,No_auto_id,OtherMutliCpd,Compound,CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC(C45C3(CCC6(C4CC(CC6)(C)C)C(=O)O5)C)O)C)C,none,none,none,none,none,none,none,none,none,none,none,none
85366860,MolPort-038-386-083,OtherMutliCpd,Compound,CC12C3C(C45CC(CCC4C3(C(C(C1O)O)O)OC2=O)C(=C)C5)C(=O)O,none,none,none,none,none,none,none,none,none,none,none,none
85422087,PL045741,OtherMutliCpd,Compound,CC(C)C(=C)CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O,none,none,none,none,none,none,none,none,none,none,none,none
85575719,FCHSRBDFHOMGQE-UHFFFAOYSA-N,OtherMutliCpd,Compound,CC1=CC=C(O1)C2=NCCC2,FCHSRBDFHOMGQE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Heteroaromatic compounds,none,Heteroaromatic compounds,none,none,none,none,none,none
85744286,No_auto_id,OtherMutliCpd,Compound,CC(C)CC(C1CCC(=C)C2C1(CCC(C2)C(C)(C)O)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O,none,none,none,none,none,none,none,none,none,none,none,none
85760249,Sinalexin,OtherMutliCpd,Compound,CON1C2=CC=CC=C2C3=C1SN=C3,MCKJZUFMGOTAKT-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indoles,Indoles,none,none,none,none,none,none
85775343,"12-Tridecene-4	6	8	10-tetraynal",OtherMutliCpd,Compound,C=CC#CC#CC#CC#CCCC=O,OFXBKGMSUXMAMD-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty aldehydes,Fatty aldehydes,none,none,none,none,none,none
85806015,BATATASIN II,OtherMutliCpd,Compound,COC1=C(C(=C(C(=C1)CCC2=CC=CC=C2)O)O)OC,CWSITSYPUXRHCS-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Stilbenes,none,Stilbenes,none,none,none,none,none,none
85821358,SCHEMBL17904709,OtherMutliCpd,Compound,C1CNC2=CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5,none,none,none,none,none,none,none,none,none,none,none,none
85834720,N-(4-Hydroxyphenyl)thiocarbamic acid O-ethyl ester,OtherMutliCpd,Compound,CCOC(=S)NC1=CC=C(C=C1)O,PUWHCBBKAJGINR-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,1-hydroxy-2-unsubstituted benzenoids,1-hydroxy-2-unsubstituted benzenoids,none,none,none,none,none,none
85837000,SCHEMBL8734659,OtherMutliCpd,Compound,C(CCCCC(=O)O)CCCC(=O)CCCCCCO,ZNMHENLYDLACAS-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,Long-chain fatty acids,none,none,none,none,none,none
85845705,Dictagymnin,OtherMutliCpd,Compound,CC(=CCOC1=CC=C(C=C1)CC=C)C,UCSGFTQHJDOIND-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenol ethers,none,Phenol ethers,none,none,none,none,none,none
85846878,"2-Methoxy-9-(3	4-dimethoxyphenyl)-1H-phenalen-1-one",OtherMutliCpd,Compound,COC1=C(C=C(C=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)OC)C=C2)OC,HCRUKGWNADTRCE-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Phenylnaphthalenes,Phenylnaphthalenes,none,none,none,none,none,none
85868636,"3	5	7-Octatriyne-1-ol",OtherMutliCpd,Compound,C#CC#CC#CCCO,UKLDABCYBVVGHL-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,none,none,none,none,none,none
85880351,"2	3-Dihydro-3	5-dihydroxy-2-oxo-1H-indole-3-acetic acid",OtherMutliCpd,Compound,C1=CC2=C(C=C1O)C(C(=O)N2)(CC(=O)O)O,BSACCBRVBZORKX-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,Indolyl carboxylic acids and derivatives,none,none,none,none,none,none
85982833,Apigravin,OtherMutliCpd,Compound,CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O)C,NYTURSQQJRVHPG-UHFFFAOYSA-N,Organic compounds,Phenylpropanoids and polyketides,Coumarins and derivatives,Hydroxycoumarins,7-hydroxycoumarins,none,none,none,none,none,none
86127012,SCHEMBL18065855,OtherMutliCpd,Compound,CC(=O)CCC(=O)C1=CC=C2N1CCC2,BDWPPPWPSZSWII-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
86127014,SEBQZNHXPWYZSW-UHFFFAOYSA-N,OtherMutliCpd,Compound,CC1=CC=C(O1)C2=CC=C3N2CCC3,SEBQZNHXPWYZSW-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
86127314,LDTMEECXWUGWBZ-UHFFFAOYSA-N,OtherMutliCpd,Compound,CC1=CC=C(O1)C2=C(C=C3N2CCC3)C,LDTMEECXWUGWBZ-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
86127323,BJTRWJSVQKOMJY-UHFFFAOYSA-N,OtherMutliCpd,Compound,CC1=C(N2CCCC2=C1C(=O)C)C,BJTRWJSVQKOMJY-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
86127326,MBJGXSSIUJRGNO-UHFFFAOYSA-N,OtherMutliCpd,Compound,CC1=C(N2CCCC2=C1C=O)C,MBJGXSSIUJRGNO-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrrolizines,none,Pyrrolizines,none,none,none,none,none,none
86127607,SCHEMBL17424013,OtherMutliCpd,Compound,CCCCCC(=O)N(CCCCN)CCCN,RIYFDCXURUKYPE-UHFFFAOYSA-N,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty amides,N-acyl amines,none,none,none,none,none,none
86187765,3-(16-Methylheptadecyl)-4-hydroxy-2-pyrone,OtherMutliCpd,Compound,CC(C)CCCCCCCCCCCCCCCC1=C(C=COC1=O)O,XEKYYIHOWASTHE-UHFFFAOYSA-N,Organic compounds,Organoheterocyclic compounds,Pyrans,Pyranones and derivatives,Pyranones and derivatives,none,none,none,none,none,none
86205980,"2-Methoxy-3-methyl-5-isopropyl-7-hydroxy-1	4-naphthoquinone",OtherMutliCpd,Compound,CC1=C(C(=O)C2=CC(=CC(=C2C1=O)C(C)C)O)OC,GMQGRIMALOVAPW-UHFFFAOYSA-N,Organic compounds,Benzenoids,Naphthalenes,Naphthoquinones,Naphthoquinones,none,none,none,none,none,none
86251913,[12]-Gingerdione,OtherMutliCpd,Compound,CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC,SRGFWRMSKPVJOD-UHFFFAOYSA-N,Organic compounds,Benzenoids,Phenols,Methoxyphenols,Gingerdiones,none,none,none,none,none,none
86306394,ZINC14652207,OtherMutliCpd,Compound,CCCOC(=O)/C=C\C1=CC=CC=C1,OLLPXZHNCXACMM-HJWRWDBZSA-N,Organic compounds,Phenylpropanoids and polyketides,Cinnamic acids and derivatives,Cinnamic acid esters,Cinnamic acid esters,none,none,none,none,none,none
86306395,ZINC14652286,OtherMutliCpd,Compound,CCCC(=O)OC/C=C\C1=CC=CC=C1,YZYPQKZWNXANRB-POHAHGRESA-N,Organic compounds,Benzenoids,Benzene and substituted derivatives,Styrenes,Styrenes,none,none,none,none,none,none
118753620,celecoxib glucronide,Drug,Compound,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,none,none,none,none,none,none,none,none,none,none,none,none
126968872,IndomethacinAcyl-beta-D-glucuronide,Drug,Compound,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O[C@@H]4[C@H]([C@@H]([C@H](C(O4)C(=O)O)O)O)O,none,none,none,none,none,none,none,none,none,none,none,none