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CHEBI:173252 - Fluoxetine glucuronide

ChEBI IDCHEBI:173252
ChEBI NameFluoxetine glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26F3NO7
Net Charge0
Average Mass485.455
Monoisotopic Mass485.16614
SMILESCN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H26F3NO7/c1-27(21-19(30)17(28)18(29)20(34-21)22(31)32)12-11-16(13-5-3-2-4-6-13)33-15-9-7-14(8-10-15)23(24,25)26/h2-10,16-21,28-30H,11-12H2,1H3,(H,31,32)/t16?,17-,18-,19+,20-,21+/m0/s1
InChIKeyROQAUFRWFXOLOE-FEKBJPIOSA-N
ChEBI Ontology
Outgoing Relation(s)
Fluoxetine glucuronide (CHEBI:173252) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(triluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060607HMDB
74857854ChemSpider