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

Go to external page http://purl.obolibrary.org/obo/CHEBI_136772

A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.

Term info

Label

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

Synonyms
  • 5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid [ IUPAC ]

charge

0

formula

C13H16O9

has obo namespace

chebi_ontology

has related synonym

2,5-dihydroxybenzoic acid 5-beta-D-glucoside, gentisic acid 5-beta-D-glucoside, 5-(beta-D-glucosyloxy)-2-hydroxybenzoic acid, gentisic acid 5-O-beta-glucoside, gentisic acid 5-beta-glucoside, 2,5-dihydroxybenzoic acid 5-O-beta-glucoside, 2,5-dihydroxybenzoic acid 5-beta-glucoside, gentisic acid 5-O-beta-D-glucoside

id

CHEBI:136772

inchi

InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1

inchikey

CBTFERBMQQAROP-BZNQNGANSA-N

mass

316.261

monoisotopicmass

316.07943

smiles

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