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CHEBI:169918 - N-desmethyltoremifene

ChEBI IDCHEBI:169918
ChEBI NameN-desmethyltoremifene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26ClNO
Net Charge0
Average Mass391.942
Monoisotopic Mass391.17029
SMILESCNCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26ClNO/c1-27-18-19-28-23-14-12-22(13-15-23)25(21-10-6-3-7-11-21)24(16-17-26)20-8-4-2-5-9-20/h2-15,27H,16-19H2,1H3/b25-24-
InChIKeyWKJKBQYEFAFHCY-IZHYLOQSSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-desmethyltoremifene (CHEBI:169918) is a stilbenoid (CHEBI:26776)
IUPAC Name 
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
Manual XrefsDatabases
2299509ChemSpider
HMDB0061051HMDB
Registry NumbersSources
CAS:110503-61-2ChemIDplus