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CHEBI:128313 - [(1S)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128313
ChEBI Name[(1S)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC25H29F2N3O2
Net Charge0
Average Mass441.522
Monoisotopic Mass441.22278
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C25H29F2N3O2/c1-29-22-12-18(32-2)4-5-19(22)23-24(29)21(14-31)28-15-25(23)7-9-30(10-8-25)13-16-11-17(26)3-6-20(16)27/h3-6,11-12,21,28,31H,7-10,13-15H2,1-2H3/t21-/m1/s1
InChIKeyMMMDBRZAUZWGES-OAQYLSRUSA-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)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128313) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39868LINCS