EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186343 - Norfluoxetine glucuronide

ChEBI IDCHEBI:186343
ChEBI NameNorfluoxetine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24F3NO7
Net Charge0
Average Mass471.428
Monoisotopic Mass471.15049
SMILESO=C(O)[C@H]1O[C@@H](NCCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H24F3NO7/c23-22(24,25)13-6-8-14(9-7-13)32-15(12-4-2-1-3-5-12)10-11-26-20-18(29)16(27)17(28)19(33-20)21(30)31/h1-9,15-20,26-29H,10-11H2,(H,30,31)/t15?,16-,17-,18+,19-,20+/m0/s1
InChIKeyGXZQMXPRYAFVRG-OJRVOLPLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Norfluoxetine glucuronide (CHEBI:186343) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-phenyl-3-[4-(triluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid
Manual XrefsDatabases
57530480ChemSpider
HMDB0061170HMDB