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1,6-bis-O-galloyl-beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM3418

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₀H₂₀O₁₄

charge

mass

484.08531

reference

chebi:15723

InChIKey

LYGRISUQIZNHGM-IVABAYMNSA-N

InChI

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

SMILES

O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15723 chebi:15723	1,6-bis-O-galloyl-beta-D-glucose 1,6-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose 1-O,6-O-Digalloyl-beta-D-glucose 1-O,6-O-digalloyl-beta-D-glucose
kegg.compound:C04101 keggC:C04101	1-O,6-O-Digalloyl-beta-D-glucose
seed.compound:cpd02532 seedM:cpd02532	1-O,6-O-Digalloyl-beta-D-glucose 1-O,6-O-digalloyl-beta-D-glucose 3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester
metacyc.compound:1-O6-O-DIGALLOYL-BETA-D-GLUCOSE metacycM:1-O6-O-DIGALLOYL-BETA-D-GLUCOSE	1-O,6-O-digalloyl-beta-D-glucose 3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester
chebi:11211 chebi:18977 chebi:650 keggC:M_C04101 seedM:M_cpd02532	secondary/obsolete/fantasy identifier