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CHEBI:165194 - Ketoprofen glucuronide

ChEBI IDCHEBI:165194
ChEBI NameKetoprofen glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESCC(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1
InChIKeyPBTXSZZKPHBHMA-LYFYOZKASA-N
ChEBI Ontology
Outgoing Relation(s)
Ketoprofen glucuronide (CHEBI:165194) is a benzophenones (CHEBI:22726)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[2-(3-benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
116053ChemSpider
HMDB0010334HMDB
Registry NumbersSources
CAS:76690-94-3ChemIDplus