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CHEBI:129790 - (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129790
ChEBI Name(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC26H30FN3O3
Net Charge0
Average Mass451.542
Monoisotopic Mass451.22712
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1
InChIInChI=1S/C26H30FN3O3/c1-28-12-10-26(11-13-28)16-30(25(32)17-4-6-18(27)7-5-17)22(15-31)24-23(26)20-9-8-19(33-3)14-21(20)29(24)2/h4-9,14,22,31H,10-13,15-16H2,1-3H3/t22-/m1/s1
InChIKeyPDOHSESDNKZOHO-JOCHJYFZSA-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-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129790) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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