OntologiesslmclassesCHEBI:136922   
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2,5-dihydroxybenzoic acid 2-O-beta-D-glucosideImported
http://purl.obolibrary.org/obo/CHEBI_136922

A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 2 has been replaced by a beta-D-glucosyl residue.

Defined bychebi
Exact Synonyms
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
Related Synonyms
2,5-dihydroxybenzoic acid 2-beta-D-glucoside
2,5-dihydroxybenzoic acid 2-beta-glucoside
2-(beta-D-glucopyranosyl)gentisic acid
2-(beta-D-glucosyl)gentisic acid
2-(beta-D-glucosyloxy)-5-hydroxybenzoic acid
gentisic acid 2-beta-D-glucoside
gentisic acid 2-beta-glucoside
gentisic acid 2-O-beta-D-glucoside
class Information
charge

0

formula

C13H16O9

has_dbxref
  • MetaCyc:CPD-12663
  • Reaxys:1295668
has_obo_namespace

chebi_ontology

inchi

InChI=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

inchikey

GEZJVEGHJRPQEX-BZNQNGANSA-N

in_subset

3_STAR

mass

316.261

monoisotopicmass

316.07943

smiles

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(C=C(O)C=C2)C(O)=O)CO

class Relations