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CHEBI:126085 - 1-[(1R)-1'-benzoyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone

ChEBI IDCHEBI:126085
ChEBI Name1-[(1R)-1'-benzoyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone
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DownloadsMolfile
FormulaC27H29N3O4
Net Charge0
Average Mass459.546
Monoisotopic Mass459.21581
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C27H29N3O4/c1-34-19-9-10-20-21(12-19)28-25-22(13-31)30(23(32)11-17-7-8-17)16-27(24(20)25)14-29(15-27)26(33)18-5-3-2-4-6-18/h2-6,9-10,12,17,22,28,31H,7-8,11,13-16H2,1H3/t22-/m0/s1
InChIKeyZGXNZUXYZONEJW-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'-benzoyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone (CHEBI:126085) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37652LINCS