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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1-salicylate O-glucuronide(1-)

ChEBI ID	CHEBI:176976

Definition	metabolite of salicylate

Stars	This entity has been manually annotated by a third party.

Submitter	R. Stephan

Supplier Information

Download	Molfile XML SDF

Formula

C13H13O9

Net Charge

-1

Average Mass

313.239

Monoisotopic Mass

313.05651

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)/p-1/t7-,8-,9+,10-,13+/m0/s1

InChIKey

JSCWDKKMLIQCMR-CDHFTJPESA-M

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2C(O)=O)O[C@@H]([C@H]1O)C([O-])=O

ChEBI Ontology
Outgoing	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	1-salicylate glucuronide (CHEBI:73961) is conjugate acid of 1-salicylate O-glucuronide(1-) (CHEBI:176976)

Citation	Type	Source
3705620	PubMed citation	SUBMITTER

Last Modified

05 December 2022