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CHEBI:128749 - (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:128749
ChEBI Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC25H29FN4O3
Net Charge0
Average Mass452.530
Monoisotopic Mass452.22237
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C25H29FN4O3/c1-29-21-13-16(33-2)7-8-17(21)22-23(29)20(14-31)27-15-25(22)9-11-30(12-10-25)24(32)28-19-6-4-3-5-18(19)26/h3-8,13,20,27,31H,9-12,14-15H2,1-2H3,(H,28,32)/t20-/m0/s1
InChIKeyFFFJFNZNKDQNHE-FQEVSTJZSA-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)
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128749) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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