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CHEBI:128406 - [(1S)-2-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128406
ChEBI Name[(1S)-2-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC29H36FN3O2
Net Charge0
Average Mass477.624
Monoisotopic Mass477.27916
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H36FN3O2/c1-31-25-15-23(35-2)9-10-24(25)27-28(31)26(18-34)33(17-21-3-4-21)19-29(27)11-13-32(14-12-29)16-20-5-7-22(30)8-6-20/h5-10,15,21,26,34H,3-4,11-14,16-19H2,1-2H3/t26-/m1/s1
InChIKeyMUQXDRHJIFCTKS-AREMUKBSSA-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'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128406) is a harmala alkaloid (CHEBI:61379)
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