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

Default Structure
ChEBI IDCHEBI:176960
ChEBI Namesalicylic acyl beta-D-glucuronide (1-)
Stars
Definitionmetabolite of salicylate
SubmitterR. Stephan
DownloadsMolfile
FormulaC13H13O9
Net Charge-1
Average Mass313.238
Monoisotopic Mass313.05651
SMILESO=C(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1O
InChIInChI=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
InChIKeyIXVVXKRKCLJCKA-UNLLLRGISA-M
ChEBI Ontology
Outgoing Relation(s)
salicylic acyl beta-D-glucuronide (1-) (CHEBI:176960) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
HMDB0010314HMDB
Citations