Terminology Service for NFDI4Health
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1-salicylate glucuronide

Go to external page http://purl.obolibrary.org/obo/CHEBI_73961

A beta-D-glucosiduronic acid that is the glucuronide conjugate of salicyclic acid.

Term info

Label

1-salicylate glucuronide

Synonyms
  • 2-carboxyphenyl beta-D-glucopyranosiduronic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2-carboxyphenyl beta-D-glucopyranosiduronic acid [ IUPAC ]

charge

0

formula

C13H14O9

has obo namespace

chebi_ontology

id

CHEBI:73961

inchi

InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1

inchikey

JSCWDKKMLIQCMR-CDHFTJPESA-N

mass

314.24490

monoisotopicmass

314.06378

smiles

O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1ccccc1C(O)=O