HGMMX

theaflavin-3, 3'-digallate

Type: Dietary supplement
PubChem: 136277567
DrugBank: None
IUPAC: 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[1-[(2S,3S)-5,7-dihydroxy-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-8-benzo[7]annulenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester
Standard InChI: InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34+,40-,41+/m1/s1
Standard InChIKey: ZEASWHWETFMWCV-VRCJZDCUSA-N
SMILES: O=C(OC1CC2=C(O)C=C(O)C=C2OC1C1=CC2=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C(O)C(O)=C2C(=O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1
Metabolism-related information: No data
Reference: No data

Metabolites

Chemical Structure Metablite's name Reaction name Genus Species Reference
theaflavin-3-gallateHydrolysisLactobacillusplantarum10.1016/j.trsl.2016.08.002
Gallic acidHydrolysisGut microbiotaGut microbiota10.1016/j.trsl.2016.08.002