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CHEBI:128439 - [(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:128439
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC25H30N4O3
Net Charge0
Average Mass434.540
Monoisotopic Mass434.23179
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C25H30N4O3/c1-27-16-25(8-11-29(12-9-25)24(31)17-5-4-10-26-14-17)22-19-7-6-18(32-3)13-20(19)28(2)23(22)21(27)15-30/h4-7,10,13-14,21,30H,8-9,11-12,15-16H2,1-3H3/t21-/m0/s1
InChIKeyWHBLJRJKMRQIRU-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)
[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone (CHEBI:128439) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39994LINCS