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CHEBI:185875 - 6-O-Desmethyldonepezil

ChEBI IDCHEBI:185875
ChEBI Name6-O-Desmethyldonepezil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27NO3
Net Charge0
Average Mass365.473
Monoisotopic Mass365.19909
SMILESCOc1cc2c(cc1O)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
InChIKeyDJRBBQJREIMIEU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-O-Desmethyldonepezil (CHEBI:185875) is a piperidines (CHEBI:26151)
IUPAC Name 
2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
Manual XrefsDatabases
21627304ChemSpider
HMDB0013959HMDB
Registry NumbersSources
CAS:120013-56-1ChemIDplus