1-O,6-O-digalloyl-β-D-glucose

Chemical Formula:

C₂₀H₂₀O₁₄

Molecular Weight:

484.37 Daltons

Monoisotopic Mass:

484.08530535139994 Daltons

SMILES:

C(C1(C(C(C(C(O1)OC(C2(C=C(C(=C(C=2)O)O)O))=O)O)O)O))OC(C3(C=C(C(=C(C=3)O)O)O))=O

InChI:

1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1

InChIKey:

LYGRISUQIZNHGM-IVABAYMNSA-N

Synonyms

3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester

Databases

MetaCyc: 1-O6-O-DIGALLOYL-BETA-D-GLUCOSE

MetaboLights: MTBLC15723

ChemSpider: 389206

ChEBI: 15723

PubChem (CID): 440221

KEGG: C04101

Seed: cpd02532

MetaNetX: MNXM3418