HGMMX

Stenophyllinin A

Type: Other
PubChem: 100945368
DrugBank: None
IUPAC: 3,4,5-trihydroxybenzoic acid [10-[(9R)-9-(3,4-dihydroxyphenyl)-5,8,20,21,22,25-hexahydroxy-17,26,28-trioxo-2,10,16,29-tetraoxaheptacyclo[12.12.3.01,13.03,12.06,11.018,23.024,27]nonacosa-3(12),4,6(11),18,20,22,24-heptaen-15-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester
Standard InChI: InChI=1S/C55H38O30/c56-18-2-1-12(3-20(18)58)44-26(64)6-14-19(57)10-27-32(45(14)81-44)34-47-48(84-53(77)17-9-25(63)39(68)42(71)31(17)33-35(54(78)83-47)55(34,85-27)49(73)43(33)72)46-28(80-50(74)13-4-21(59)36(65)22(60)5-13)11-79-51(75)15-7-23(61)37(66)40(69)29(15)30-16(52(76)82-46)8-24(62)38(67)41(30)70/h1-5,7-10,26,28,34-35,44,46-48,56-72H,6,11H2/t26?,28?,34?,35?,44-,46?,47?,48?,55?/m1/s1
Standard InChIKey: FWLIWQBWHQWYFE-NYKAFEJXSA-N
SMILES: O=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(=O)C34OC5=CC(O)=C6CC(O)C(C7=CC=C(O)C(O)=C7)OC6=C5C3C1OC(=O)C24)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
Ellagic acidHydrolysisGut microbiotaGut microbiota10.1021/acs.jnatprod.6b00602