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1-O-galloyl-beta-D-glucose

MNXM1098 is deprecated and here replaced by MNXM726679
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726679

	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	0

formula

C₁₃H₁₆O₁₀

charge

mass

332.07435

reference

InChIKey

GDVRUDXLQBVIKP-HQHREHCSSA-N

InChI

InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1

SMILES

O=C(O[C@@H]1O[C@H](CO)[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:15834 chebi:15834	1-O-galloyl-beta-D-glucose 1-Galloyl-beta-D-glucose 1-Galloyl-beta-glucose 1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose 1-O-Galloyl-beta-D-glucose beta-Glucogallin
kegg.compound:C01158 keggC:C01158	1-O-Galloyl-beta-D-glucose 1-Galloyl-beta-D-glucose 1-Galloyl-beta-glucose beta-Glucogallin
metacyc.compound:1-O-GALLOYL-BETA-D-GLUCOSE metacycM:1-O-GALLOYL-BETA-D-GLUCOSE	1-O-galloyl-beta-D-glucose 1-galloyl-beta-glucose beta-glucogallin
seed.compound:cpd00852 seedM:cpd00852	beta-Glucogallin 1-Galloyl-beta-D-glucose 1-Galloyl-beta-glucose 1-O-Galloyl-beta-D-glucose 1-O-galloyl-beta-D-glucose 1-galloyl-beta-glucose beta-glucogallin
hmdb:HMDB0038728	beta-Glucogallin 1-Galloyl-glucose 1-Galloylglucose 1-Glucosyl gallic acid 1-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranose 1-O-Galloyl-b-D-glucopyranose 1-O-Galloyl-beta-D-glucose 1-O-Galloylglucose 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoic acid 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoate D-Glucose 1-(3,4,5-trihydroxybenzoate) Galloylglucose Glucogallin b-Glucogallin beta-D-Glucopyranose, 1-(3,4,5-trihydroxybenzoate) beta-glucogallin glucogallin
hmdb:HMDB38728 chebi:11210 chebi:11217 chebi:11255 chebi:18984 chebi:655 keggC:M_C01158 seedM:M_cpd00852	secondary/obsolete/fantasy identifier