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CHEBI:129554 - (2-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129554
ChEBI Name(2-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-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(nc2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H28FN3O3/c1-28-15-25(9-11-29(12-10-25)24(31)17-5-3-4-6-19(17)26)22-18-8-7-16(32-2)13-20(18)27-23(22)21(28)14-30/h3-8,13,21,27,30H,9-12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyKJWDLSLNDXZUDM-NRFANRHFSA-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)
(2-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129554) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41105LINCS