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2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM14142 Image of MNXM14142
referencechebi:136922
formulaC13H16O9
global charge0
mol weight316.262
InChIKeyGEZJVEGHJRPQEX-BZNQNGANSA-N
InChIInChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
SMILESO=C(O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(O)=C1
MNX internals
InChI (mnx)InChI=1/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 Image of MNXM14142
SMILES (mnx)[CH:1]1=[CH:2][C:7]([O:21][C@H:13]2[C@H:11]([OH:18])[C@@H:10]([OH:17])[C@H:9]([OH:16])[C@@H:8]([CH2:4][OH:14])[O:22]2)=[C:6]([C:12](=[O:19])[OH:20])[CH:3]=[C:5]1[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136922
chebi:136922
GEZJVEGHJRPQEX-BZNQNGANSA-N 		2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside
2,5-dihydroxybenzoic acid 2-beta-D-glucoside
2,5-dihydroxybenzoic acid 2-beta-glucoside
2-(beta-D-glucopyranosyl)gentisic acid
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
2-(beta-D-glucosyl)gentisic acid
2-(beta-D-glucosyloxy)-5-hydroxybenzoic acid
gentisic acid 2-O-beta-D-glucoside
gentisic acid 2-beta-D-glucoside
gentisic acid 2-beta-glucoside

metacyc.compound:CPD-12663
metacycM:CPD-12663
GEZJVEGHJRPQEX-BZNQNGANSA-M 		2,5-dihydroxybenzoate 2-O-beta-D-glucoside
2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside
2-(beta-D-glucopyranosyloxy)-5-hydroxy-benzoic acid
5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
DHB2G

seed.compound:cpd23518
seedM:cpd23518
GEZJVEGHJRPQEX-BZNQNGANSA-M 		2,5-dihydroxybenzoate 2-O-beta-D-glucoside
2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside
2-(beta-D-glucopyranosyloxy)-5-hydroxy-benzoic acid
5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
DHB2G
benzoic acid, 2-(beta-D-glucopyranosyloxy)-5-hydroxy-

seedM:M_cpd23518 		secondary/obsolete/fantasy identifier