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CHEBI:129883 - (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129883
ChEBI Name(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC25H28FN3O3
Net Charge0
Average Mass437.515
Monoisotopic Mass437.21147
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O3/c1-28-21-13-18(32-2)7-8-19(21)22-23(28)20(14-30)27-15-25(22)9-11-29(12-10-25)24(31)16-3-5-17(26)6-4-16/h3-8,13,20,27,30H,9-12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyQQXVFLACFWUXCU-HXUWFJFHSA-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)
(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129883) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41434LINCS