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CHEBI:188396 - Fenoprofen glucuronide

ChEBI IDCHEBI:188396
ChEBI NameFenoprofen glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCC(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H22O9/c1-11(12-6-5-9-14(10-12)28-13-7-3-2-4-8-13)20(27)30-21-17(24)15(22)16(23)18(29-21)19(25)26/h2-11,15-18,21-24H,1H3,(H,25,26)/t11?,15-,16-,17+,18-,21-/m0/s1
InChIKeyKXAAUVHIGIFUSM-RVLIQFCMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
Fenoprofen glucuronide (CHEBI:188396) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(3-phenoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
Manual XrefsDatabases
9917451ChemSpider
HMDB0061142HMDB