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CHEBI:128291 - [(1S)-2-[(4-fluorophenyl)methyl]-7-methoxy-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128291
ChEBI Name[(1S)-2-[(4-fluorophenyl)methyl]-7-methoxy-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC25H30FN3O2
Net Charge0
Average Mass423.532
Monoisotopic Mass423.23221
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1
InChIInChI=1S/C25H30FN3O2/c1-28-11-9-25(10-12-28)16-29(14-17-3-5-18(26)6-4-17)22(15-30)24-23(25)20-8-7-19(31-2)13-21(20)27-24/h3-8,13,22,27,30H,9-12,14-16H2,1-2H3/t22-/m1/s1
InChIKeyKCUPEQASNPUUCR-JOCHJYFZSA-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-[(4-fluorophenyl)methyl]-7-methoxy-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128291) is a harmala alkaloid (CHEBI:61379)
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