EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176976 - 1-salicylate O-glucuronide(1-)

ChEBI IDCHEBI:176976
ChEBI Name1-salicylate O-glucuronide(1-)
Stars
Definitionmetabolite of salicylate
Last Modified5 December 2022
SubmitterR. Stephan
DownloadsMolfile
FormulaC13H13O9
Net Charge-1
Average Mass313.238
Monoisotopic Mass313.05651
SMILESO=C(O)c1ccccc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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)/p-1/t7-,8-,9+,10-,13+/m0/s1
InChIKeyJSCWDKKMLIQCMR-CDHFTJPESA-M
ChEBI Ontology
Outgoing Relation(s)
1-salicylate O-glucuronide(1-) (CHEBI:176976) is a organic molecular entity (CHEBI:50860)
1-salicylate O-glucuronide(1-) (CHEBI:176976) is conjugate base of 1-salicylate glucuronide (CHEBI:73961)
Incoming Relation(s)
1-salicylate glucuronide (CHEBI:73961) is conjugate acid of 1-salicylate O-glucuronide(1-) (CHEBI:176976)
Citations