molecule id,smiles
L-lactate,CC(C(=O)[O-])O
beta-D-fructofuranose,C(C1C(C(C(O1)(CO)O)O)O)O
Histidine,C1=C(NC=N1)CC(C(=O)O)N
Platycodin D,CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O
Indole-3-lactic acid,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O
Dihydrodaidzein,C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O
Quercetin,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
3-(4-Hydroxyphenyl)propionic acid,C1=CC(=CC=C1CCC(=O)O)O
Trimethylamine oxide,C[N+](C)(C)[O-]
Isoquercetin,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)O
Propionate,CCC(=O)[O-]
Taurocholic acid,CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Acacetin,COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Pyruvate,CC(=O)C(=O)[O-]
Equol,C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
Hydroxyquercitrin,CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Deoxycholic Acid,CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Palmitic Acid,CCCCCCCCCCCCCCCC(=O)O
"6,7,4'-Trihydroxyisoflavone",C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O
Pipecolic acid,C1CCNC(C1)C(=O)O
Cystine,C(C(C(=O)O)N)SSCC(C(=O)O)N
Butyrate,CCCC(=O)[O-]
Sedoheptulose,C(C(C(C(C(C(=O)CO)O)O)O)O)O
3-Hydroxybenzoic acid,C1=CC(=CC(=C1)O)C(=O)O
Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
"3,9-dihydroxy-6H-benzo[c]chromen-6-one",C1=CC2=C(C=C1O)C3=C(C=C(C=C3)O)OC2=O
"3-(3',4'-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-propan-2-ol",C1=CC(=C(C=C1CC(CC2=C(C=C(C=C2O)O)O)O)O)O
Phloroglucinol,C1=C(C=C(C=C1O)O)O
3-Hydroxyphenethyl alcohol,C1=CC(=CC(=C1)O)CCO
4-Pyridoxic acid,CC1=NC=C(C(=C1O)C(=O)O)CO
Sulfate Ion,[O-]S(=O)(=O)[O-]
Leucine,CC(C)CC(C(=O)O)N
"3,4-Dihydroxyphenylacetic acid",C1=CC(=C(C=C1CC(=O)O)O)O
Phenylacetic Acid,C1=CC=C(C=C1)CC(=O)O
Indoxyl sulfate,C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O
4-Hydroxyphenylacetic acid,C1=CC(=CC=C1CC(=O)O)O
DL-Alanine,CC(C(=O)O)N
2-Acetoxypropanoic acid,CC(C(=O)O)OC(=O)C
D-Lactic acid,CC(C(=O)O)O
Creatine,CN(CC(=O)O)C(=N)N
Baohuoside I,CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O
Trimethylamine,CN(C)C
Tricarballylic acid,C(C(CC(=O)O)C(=O)O)C(=O)O
O-Desmethylangolensin,CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
Formate,C(=O)[O-]
Aglycone,CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)O)C)C
Chrysin,C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Apigenin,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Isovaleric acid,CC(C)CC(=O)O
Caffeic Acid,C1=CC(=C(C=C1C=CC(=O)O)O)O
Serine,C(C(C(=O)O)N)O
(10-[(Acetyloxy)methyl]-9-anthryl)methyl acetate,CC(=O)OCC1=C2C=CC=CC2=C(C3=CC=CC=C31)COC(=O)C
Lactate,CC(C(=O)[O-])O
Succinate,C(CC(=O)[O-])C(=O)[O-]
8-Prenylnaringenin,CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C
D-Glucuronic Acid,C1(C(C(OC(C1O)O)C(=O)O)O)O
"3,4-Dihydroxybenzoic acid",C1=CC(=C(C=C1C(=O)O)O)O
l-Isoleucine,CCC(C)C(C(=O)O)N
Colibactin,CC1CCC(=N1)C2=C(C3(CC3)NC2=O)CC(=O)NCC4=NC(=CS4)C(=O)C(=O)C5=NC(=CS5)C(=O)CNC(=O)CC6=C(C(=O)NC67CC7)C8=NC(CC8)C
3-Indolepropionic acid,C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
DL-Tartaric acid,C(C(C(=O)O)O)(C(=O)O)O
Glycocholic acid,CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
4-Hydroxybenzoic acid,C1=CC(=CC=C1C(=O)O)O
Levodopa,C1=CC(=C(C=C1CC(C(=O)O)N)O)O
Hesperetin dihydrochalcone,COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O)O
"3,4-Dihydroxy-trans-stilbene",C1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)O
"2,3-Butanedione",CC(=O)C(=O)C
"2-(4-Hydroxyphenyl)propionic acid, (2S)-",CC(C1=CC=C(C=C1)O)C(=O)O
Ethanol,CCO
Asparagine,C(C(C(=O)O)N)C(=O)N
Citric Acid,C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Dihydroresveratrol,C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O
3-Hydroxy-4-methoxybenzenepropanoic acid,COC1=C(C=C(C=C1)CCC(=O)O)O
Daidzein,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Icaritin,CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C
Acetyl phosphate(2-),CC(=O)OP(=O)([O-])[O-]
3-(3-Hydroxyphenyl)propanoic acid,C1=CC(=CC(=C1)O)CCC(=O)O
Dihydrogenistein,C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O
Lithocholic acid,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
"5-(3,4-Dihydroxyphenyl)-valerolactone",C1CC(OC(=O)C1)C2=CC(=C(C=C2)O)O
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid,C1=CC(=CC=C1CC(C(=O)O)O)O
Dihydrocaffeic acid,C1=CC(=C(C=C1CCC(=O)O)O)O
"2,3-Butanediol",CC(C(C)O)O
Alanine,CC(C(=O)O)N
Luteolin,C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
Bile acid,CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Cysteine,C(C(C(=O)O)N)S
Proline,C1CC(NC1)C(=O)O
Glycine,C(C(=O)O)N
Acetate,CC(=O)[O-]
Enterodiol,C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO
2-hydroxy-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)O
"3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid",C1=CC(=C(C=C1CC(C(=O)O)O)O)O
Genistein,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
Lunularin,C1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O
Acetoin,CC(C(=O)C)O
Valerate,CCCCC(=O)[O-]
1-O-Caffeoylglycerol,C1=CC(=C(C=C1C=CC(=O)OCC(CO)O)O)O
Diosmetin,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
