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CHEBI:129579 - cyclobutyl-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129579
ChEBI Namecyclobutyl-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC29H33F2N3O3
Net Charge0
Average Mass509.597
Monoisotopic Mass509.24900
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C29H33F2N3O3/c1-37-21-6-7-22-24(14-21)32-27-25(16-35)34(15-19-13-20(30)5-8-23(19)31)17-29(26(22)27)9-11-33(12-10-29)28(36)18-3-2-4-18/h5-8,13-14,18,25,32,35H,2-4,9-12,15-17H2,1H3/t25-/m0/s1
InChIKeyFAPZFILXRWTTCI-VWLOTQADSA-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)
cyclobutyl-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129579) is a harmala alkaloid (CHEBI:61379)
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