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2-(D-glucosyloxy)benzoic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_87766

A monosaccharide derivative that is salicylic acid in which the phenolic hydrogen is replaced by a D-glucosyl residue.

Term info

Label

2-(D-glucosyloxy)benzoic acid

Synonyms
  • 2-(D-glucopyranosyloxy)benzoic acid
  • 2-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2-(D-glucopyranosyloxy)benzoic acid [ IUPAC ]

IUPAC NAME
2-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid [ IUPAC ]

charge

0

formula

C13H16O8

has obo namespace

chebi_ontology

has related synonym

salicylic acid glucoside, 2-(D-glucopyranosyloxy)benzoic acid, O-glucosylsalicylic acid, salicylic acid glucopyranoside

id

CHEBI:87766

inchi

InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13?/m1/s1

inchikey

TZPBMNKOLMSJPF-TWEVDUBQSA-N

mass

300.262

monoisotopicmass

300.08452

smiles

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1OC=2C(=CC=CC2)C(O)=O)CO