HGMMX

Salicarinin A

Type: Other
PubChem: 132526732
DrugBank: None
IUPAC: 3,4,5-trihydroxy-2-[[(1R,2R,20R,42S,46S)-8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-pentadecahydroxy-4,17,22,40,44-pentaoxo-41,43-dioxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-7-yl]oxy]benzoic acid [(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-17-oxo-16-oxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-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/C86H62O47/c87-25-4-2-15-5-26(88)20-9-30(92)53(98)60(105)39(20)43-46-44(66(111)72(117)65(43)110)45-48-50(69(114)74(119)67(45)112)71(116)80(133-86(48)126)79(132-84(46)124)18(15)7-27(89)21-13-34(57(102)63(108)38(21)37-19(25)8-29(91)52(97)59(37)104)128-78-24(12-33(95)56(101)75(78)120)83(123)129-35-14-127-81(121)22-10-31(93)54(99)61(106)40(22)41-23(11-32(94)55(100)62(41)107)82(122)130-76(35)17-3-1-16-6-28(90)51(96)58(103)36(16)42-47-49(68(113)73(118)64(42)109)70(115)77(17)131-85(47)125/h6,8-13,15,17-18,35,70-71,76-77,79-80,90-120H,1-5,7,14H2/t15-,17+,18-,35-,70+,71+,76-,77+,79-,80+/m1/s1
Standard InChIKey: ZKFUIZTZBPNHJJ-FZEBOQCJSA-N
SMILES: O=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1CCC2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)CCC1CC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C4=C3C(=O)OC(C1CC2=O)C1OC(=O)C2=C4C(O)=C(O)C(O)=C2C1O
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