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CHEBI:124979 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(2-pyridinyl)ethanone

ChEBI IDCHEBI:124979
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(2-pyridinyl)ethanone
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DownloadsMolfile
FormulaC26H32N4O3
Net Charge0
Average Mass448.567
Monoisotopic Mass448.24744
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CCN(C)CC1
InChIInChI=1S/C26H32N4O3/c1-28-12-9-26(10-13-28)17-30(23(32)14-18-6-4-5-11-27-18)22(16-31)25-24(26)20-8-7-19(33-3)15-21(20)29(25)2/h4-8,11,15,22,31H,9-10,12-14,16-17H2,1-3H3/t22-/m0/s1
InChIKeyHHZIVAOUVNHDPW-QFIPXVFZSA-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)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(2-pyridinyl)ethanone (CHEBI:124979) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-36439LINCS