Search MNXref
 Feedback

1-O-galloyl-beta-D-glucose

MNXM1098 is deprecated and here replaced by MNXM726679
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726679 Image of MNXM726679
referencechebi:15834
formulaC13H16O10
global charge0
mol weight332.261
InChIKeyGDVRUDXLQBVIKP-HQHREHCSSA-N
InChIInChI=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
SMILESO=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM726679
SMILES (mnx)[CH:1]1=[C:4]([C:12](=[O:21])[O:23][C@H:13]2[C@H:11]([OH:20])[C@@H:10]([OH:19])[C@H:9]([OH:18])[C@@H:7]([CH2:3][OH:14])[O:22]2)[CH:2]=[C:6]([OH:16])[C:8]([OH:17])=[C:5]1[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)27
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15834
chebi:15834
GDVRUDXLQBVIKP-HQHREHCSSA-N 		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
GDVRUDXLQBVIKP-HQHREHCSSA-N 		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
GDVRUDXLQBVIKP-HQHREHCSSA-N 		1-O-galloyl-beta-D-glucose
1-galloyl-beta-glucose
beta-glucogallin
hmdb:HMDB0301708
GDVRUDXLQBVIKP-HQHREHCSSA-N 		Galloyl glucose
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoate
1-Galloyl-b-D-glucose
1-Galloyl-b-glucose
1-Galloyl-beta-D-glucose
1-Galloyl-beta-glucose
1-O-Galloyl-b-D-glucose
1-O-Galloyl-beta-D-glucose
1-O-Galloylglucose
Galloylglucose
Glucogallin
b-Glucogallin
beta-Glucogallin
beta-glucogallin

seed.compound:cpd00852
seedM:cpd00852
GDVRUDXLQBVIKP-HQHREHCSSA-N 		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
GDVRUDXLQBVIKP-HQHREHCSSA-N 		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