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CHEBI:124973 - 1-[(1R)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(2-pyridinyl)ethanone

ChEBI IDCHEBI:124973
ChEBI Name1-[(1R)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(2-pyridinyl)ethanone
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DownloadsMolfile
FormulaC30H38N4O3
Net Charge0
Average Mass502.659
Monoisotopic Mass502.29439
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CN(CC2CCCCC2)C1
InChIInChI=1S/C30H38N4O3/c1-32-25-15-23(37-2)11-12-24(25)28-29(32)26(17-35)34(27(36)14-22-10-6-7-13-31-22)20-30(28)18-33(19-30)16-21-8-4-3-5-9-21/h6-7,10-13,15,21,26,35H,3-5,8-9,14,16-20H2,1-2H3/t26-/m0/s1
InChIKeyZFHQYZZRVZLCPM-SANMLTNESA-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'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(2-pyridinyl)ethanone (CHEBI:124973) is a harmala alkaloid (CHEBI:61379)
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