CHEBI:176960 - salicylic acyl beta-D-glucuronide (1-)

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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 salicylic acyl beta-D-glucuronide (1-)
ChEBI ID CHEBI:176960
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/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)/p-1/t7-,8-,9+,10-,13-/m0/s1
InChIKey IXVVXKRKCLJCKA-UNLLLRGISA-M
SMILES [C@@H]1(OC(=O)C=2C(=CC=CC2)O)O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O
ChEBI Ontology
Outgoing salicylic acyl beta-D-glucuronide (1-) (CHEBI:176960) is a organic molecular entity (CHEBI:50860)
Manual Xref Database
HMDB0010314 HMDB accession
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Citation Waiting for Citations Type Source
3705620 PubMed citation SUBMITTER