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CHEBI:130584 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone

ChEBI IDCHEBI:130584
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone
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FormulaC24H27N3O3
Net Charge0
Average Mass405.498
Monoisotopic Mass405.20524
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C)C1
InChIInChI=1S/C24H27N3O3/c1-26-13-24(14-26)15-27(21(29)10-16-6-4-3-5-7-16)20(12-28)23-22(24)18-9-8-17(30-2)11-19(18)25-23/h3-9,11,20,25,28H,10,12-15H2,1-2H3/t20-/m1/s1
InChIKeyDAMHWQJDZOQZPO-HXUWFJFHSA-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-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone (CHEBI:130584) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42133LINCS