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. 2022 Sep 16;13:988352. doi: 10.3389/fpls.2022.988352

TABLE 4.

UPHLC-MS analysis tentative identification of the secondary metabolites from C. burhia root methanol extract (negative ionization mode).

No. RT (min) Mass Tentative identification Chemical formula Compound class B. peak (m/z)
1 7.794 432.1273 Apiosylglucosyl 4-hydroxybenzoate C18 H24 O12 Glycoside 431.1273
2 8.287 207.0894 Phenylpropionylglycine C11 H13 NO3 Acyl glycine 208.0894
3 8.49 462.1168 Tricin 4′-apioside C22 H22 O11 Flavone 461.1168
4 8.871 416.1103 3′,4′-Dihydroxyflavone 4′-glucoside C21 H20 O9 Flavone 415.1103
5 9.213 372.1214 7,8,3′,4′,5′-Pentamethoxyflavone C20 H20 O7 flavone 371.1214
6 9.351 286.0481 5,7,2′,3′-Tetrahydroxyflavone C15 H10 O6 Flavone 285.0481
7 9.507 370.1056 Neouralenol C20 H18 O7 Flavone 369.1056
8 9.614 406.0905 5,6,3′,5′-Tetrahydroxy-3,7,8,4′-tetramethoxyflavone C19 H18 O10 Flavonoids 405.0905
10 9.856 270.0536 Demethyltexasin C15 H10 O5 Isoflavonoe 269.0536
11 9.942 138.0316 p-Salicylic acid C7 H6 O3 Phenol 137.0316
13 10.034 300.0636 Kaempferide C16 H12 O6 Flavone 299.0636
14 10.25 200.1051 Decenedioic acid C10 H16 O4 Phyto 199.1051
15 10.358 584.2616 Pubescenol C32 H40 O10 Withanolide 583.2616
16 10.424 254.0584 7,4′-Dihydroxyflavone C15 H10 O4 Flavone 253.0584
17 10.553 284.0683 Texasin C16 H12 O5 Phyto 283.0683
18 10.756 390.0955 5,7,2′-Trihydroxy-3,6,4′,5′-tetramethoxyflavone C19 H18 O9 Flavone 389.0955
19 10.822 354.1103 2,3-Dehydrokievitone C20 H18 O6 Phyto 353.1103
20 10.921 268.0373 Coumestrol C15 H8 O5 Coumestans 267.0373
21 11.214 454.1632 5,2′,4′,5′-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6″,6″ dimethylpyrano[2″,3″:7,8]flavone C25 H26 O8 Flavone 453.1632
22 11.217 298.048 8-Methoxycoumestrol C16 H10 O6 Coumestans 297.048
23 11.293 352.0607 3′-O-Methyl-(-)-epicatechin-5-O-sulfate C16 H16 O7S Flavonoids 351.0607
24 11.448 624.2634 Kanokoside D C27 H44 O16 Terpene glycoside 623.2634
25 11.476 578.2573 Withaperuvin H C30 H42 O9 S Withanolide 577.2573
26 11.515 400.116 Torosaflavone A C21 H20 O8 Flavonoids 399.116
27 11.52 468.1045 Gyrophoric acid C24 H20 O10 Phyto 467.1045
28 11.561 330.241 5,8,12-trihydroxy-9-octadecenoic acid C18 H34 O5 Fatty acids 329.241
29 11.63 352.0947 Psoralidin oxide C20 H16 O6 Coumestans 351.0947
30 11.787 314.0793 Luteolin 5,3′-dimethyl ether C17 H14 O6 Flavonoids 313.0793
31 12.099 256.0738 6-Demethylvignafuran C15 H12 O4 Isoflavonoid 255.0738
32 12.141 562.2625 19-Hydroxycinnzeylanol 19-glucoside C26 H42 O13 Glycosides 561.2625
33 12.638 354.1101 2,3-Dehydrokievitone C20 H18 O6 Flavanone 353.1101
34 13.249 220.0737 Polygonolide C12 H12 O4 Coumarins 219.0737
35 13.368 322.1208 5,7-Dihydroxy-8-prenylflavone C20 H18 O4 Flavone 321.1208
36 13.375 368.1228 Aurmillone C21 H20 O6 Isoflavonoe 367.1228
37 13.512 438.1681 Morusignin L C25 H26 O7 Flavones 437.1681
38 13.572 676.2315 Artonin D C40 H36 O10 Chalcones 675.2315
39 13.573 452.11 Cinchonain Ib C24 H20 O9 Phyto 451.11
40 13.581 338.1163 (-)-Glyceollin I C20 H18 O5 Phytoalexins 337.1163
41 13.991 336.1001 Isosojagol C20 H16 O5 Coumestans 335.1001
42 14.229 440.1835 Exiguaflavanone C C25 H28 O7 Flavanone 439.1835
43 14.474 354.1102 2,3-Dehydrokievitone C20 H18 O6 Flavanone 353.1102
44 14.607 450.0928 Exserohilone C20 H22 N2 O6 S2 Indoles 449.0928
45 14.721 342.1104 5,7,2′,5′-tetramethoxyflavone C19 H18 O6 Flavone 341.1104
46 14.82 334.0844 Sophoracoumestan A C20 H14 O5 Coumeston 333.0844
47 15.079 340.0952 Methylophiopogonone A C19 H16 O6 Flavonoid 339.0952
48 15.08 324.1364 Isobavachalcone C20 H20 O4 Chalcones 323.1364
49 15.283 390.1831 Paratocarpin B C25 H26 O4 Chalcones 389.1831
50 15.494 340.0946 Methylophiopogonone A C19 H16 O6 Flavonoid 339.0946
51 15.641 406.1783 Honyucitrin C25 H26 O5 Flavanone 405.1783
52 17.708 296.2354 12-oxo-10Z-octadecenoic acid C18 H32 O3 Fatty acids 295.2354
53 18.511 272.2355 2-Hydroxyhexadecanoic acid C16 H32 O3 Fatty acids 271.2355

RT, retention time; B. Peak, base beak.