Table 2.

Functional annotation of set specific metabolite biomarkers.

Set	Name	Description	FC	P	VIP
L-LH	Cytosine	Pyrimidine base, product of CTP dephosphorylation. The CTP can transfer a phosphate to convert ADP to ATP.	5.71	8.37E-04	1.84
	L-Gulonic gamma-lactone	Direct precursor of vitamin C.	2.83	4.71E-04	1.85
	Phenoxybenzamine	Metabolite causes vasodilatation and increases cardiac output.	2.55	7.38E-03	1.68
	Lavandulol	Pheromone.	2.06	5.57E-04	2.00
	beta-Alanine	Neurotoxin, mitochondrial toxin, and metabotoxin when at a high level.	1.74	5.48E-05	2.09
	Glutaric acid	Product during metabolism of some amino acids. Act as an acidogen and a metabotoxin when at high levels.	1.62	1.66E-03	1.89
H-HH	Pro-Tyr	Dipeptide.	5.14	9.23E-04	2.15
	Pro-Asn	Dipeptide.	2.13	5.52E-04	2.15
	Thr-Ala	Dipeptide.	2.10	4.08E-04	2.09
	D-Glucose-6-phosphate	Metabolic hub.	3.20	1.37E-02	1.68
	Ammelide	Hydrolysis product of melamine.	2.33	7.10E-05	2.17
	S-Methyl-5’-thioadenosine	Metabolite influencing the regulation of gene expression, proliferation, differentiation, and apoptosis.	2.07	6.65E-03	1.83
	4-Hydroxycinnamic acid	Important source of antioxidants.	2.05	2.54E-05	2.31
	trans-2-Hydroxycinnamic acid	Important source of antioxidants.	2.02	5.25E-06	2.39
	Theobromine	Vasodilator, diuretic and heart stimulator.	2.01	6.87E-03	1.70
	N-Acetyl-D-glucosamine	Metabolite initiating a protective response to stress, modulating a cell’s capacity to grow and divide, and regulates gene transcription.	2.00	1.91E-03	1.90
	Tiopronin	Reducing agent, neuroprotective agent.	1.99	5.42E-05	2.23
	L-Phenylalanine	Metabolite could be converted to tyrosine, used in the biosynthesis of dopamine and norepinephrine neurotransmitters.	1.97	1.10E-02	1.66
	Dimethylglycine	Byproduct of the metabolism of choline.	1.95	6.11E-03	1.78
	Phe-Ala	Dipeptide.	1.92	1.74E-02	1.52
	Ajmalicine	Monoterpenoid indole alkaloid, vasodilator agent.	1.87	4.52E-03	1.8

Note: HMDB, PubChem, and UniProt were applied in metabolites function annotation.