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CHEBI:125831 - 1-[(1R)-1'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:125831
ChEBI Name1-[(1R)-1'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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FormulaC24H26ClN3O3
Net Charge0
Average Mass439.943
Monoisotopic Mass439.16627
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C24H26ClN3O3/c1-15(30)28-14-24(12-27(13-24)10-16-5-3-4-6-19(16)25)22-18-8-7-17(31-2)9-20(18)26-23(22)21(28)11-29/h3-9,21,26,29H,10-14H2,1-2H3/t21-/m0/s1
InChIKeySBRYGAAXAGMYJH-NRFANRHFSA-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'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:125831) is a harmala alkaloid (CHEBI:61379)
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