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CHEBI:127165 - [(1S)-2-(cyclopropylmethyl)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:127165
ChEBI Name[(1S)-2-(cyclopropylmethyl)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC26H29F2N3O2
Net Charge0
Average Mass453.533
Monoisotopic Mass453.22278
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(CC1CC1)CC31CN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C26H29F2N3O2/c1-33-19-5-6-20-22(9-19)29-25-23(12-32)31(10-16-2-3-16)15-26(24(20)25)13-30(14-26)11-17-8-18(27)4-7-21(17)28/h4-9,16,23,29,32H,2-3,10-15H2,1H3/t23-/m1/s1
InChIKeyJDIQGVGSGGZIBV-HSZRJFAPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
[(1S)-2-(cyclopropylmethyl)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:127165) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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