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CHEBI:128550 - 2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:128550
ChEBI Name2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC21H27N3O3
Net Charge0
Average Mass369.465
Monoisotopic Mass369.20524
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)CC2CC2)C1
InChIInChI=1S/C21H27N3O3/c1-23-17-8-14(27-2)5-6-15(17)19-20(23)16(9-25)22-10-21(19)11-24(12-21)18(26)7-13-3-4-13/h5-6,8,13,16,22,25H,3-4,7,9-12H2,1-2H3/t16-/m0/s1
InChIKeyVJUFLZFKXZVQNQ-INIZCTEOSA-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)
2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:128550) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40104LINCS