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CHEBI:184837 - Ketotifen-N-glucuronide

ChEBI IDCHEBI:184837
ChEBI NameKetotifen-N-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27NO7S
Net Charge0
Average Mass485.558
Monoisotopic Mass485.15082
SMILESC[N+]1(C2OC(C(=O)[O-])C(O)C(O)C2O)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
InChIInChI=1S/C25H27NO7S/c1-26(24-21(30)19(28)20(29)22(33-24)25(31)32)9-6-13(7-10-26)18-15-5-3-2-4-14(15)12-17(27)23-16(18)8-11-34-23/h2-5,8,11,19-22,24,28-30H,6-7,9-10,12H2,1H3/b18-13-
InChIKeyWLTPAELNPGRIGG-AQTBWJFISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ketotifen-N-glucuronide (CHEBI:184837) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
3,4,5-trihydroxy-6-[1-methyl-4-(8-oxo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-ium-1-yl]oxane-2-carboxylate