HGMMX

Ellagitannin

Type: Other
PubChem: 10033935
DrugBank: None
IUPAC: 3,4,5-trihydroxybenzoic acid [(8R,9S,27R,29S,30R,36R,37S,38S)-2,3,14,15,16,19,20,21,36,37-decahydroxy-6,11,24,32,35-pentaoxo-36-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-1(39),2,4,12,14,16,18,20,22,33-decaen-29-yl] ester
Standard InChI: InChI=1S/C44H32O27/c1-10(45)8-43(63)22(51)7-15-26-25-14(6-20(50)30(55)34(25)71-44(26,43)64)40(61)67-33-21-9-65-38(59)12-4-18(48)28(53)31(56)23(12)24-13(5-19(49)29(54)32(24)57)39(60)68-35(33)36(69-41(15)62)42(66-21)70-37(58)11-2-16(46)27(52)17(47)3-11/h2-7,21,26,33,35-36,42,46-50,52-57,63-64H,8-9H2,1H3/t21-,26-,33-,35+,36-,42+,43-,44+/m1/s1
Standard InChIKey: DVBQHEGQMJLCBQ-VFBNLJSFSA-N
SMILES: CC(=O)CC1(O)C(=O)C=C2C(=O)OC3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)OC4COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC3C4OC(=O)C3=CC(O)=C(O)C4=C3C2C1(O)O4
Metabolism-related information: Increase adsorption in gut
Reference: 10.3390/molecules21081034

Metabolites

Chemical Structure Metablite's name Reaction name Genus Species Reference
Ellagic acidHydrolysisGut microbiotaGut microbiota10.3390/molecules21081034