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CHEBI:126401 - 1-[(1R)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:126401
ChEBI Name1-[(1R)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC26H30FN3O3
Net Charge0
Average Mass451.542
Monoisotopic Mass451.22712
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(C)=O)CC1
InChIInChI=1S/C26H30FN3O3/c1-17(32)29-10-8-26(9-11-29)16-30(14-18-4-3-5-19(27)12-18)23(15-31)25-24(26)21-7-6-20(33-2)13-22(21)28-25/h3-7,12-13,23,28,31H,8-11,14-16H2,1-2H3/t23-/m0/s1
InChIKeyKMOMJLPASCAXGN-QHCPKHFHSA-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)
1-[(1R)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:126401) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37966LINCS