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CHEBI:126387 - 1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone

ChEBI IDCHEBI:126387
ChEBI Name1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone
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DownloadsMolfile
FormulaC28H32ClN3O3
Net Charge0
Average Mass494.035
Monoisotopic Mass493.21322
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CC2CC2)C1
InChIInChI=1S/C28H32ClN3O3/c1-30-23-12-20(35-2)9-10-21(23)26-27(30)24(14-33)31(13-19-5-3-4-6-22(19)29)15-28(26)16-32(17-28)25(34)11-18-7-8-18/h3-6,9-10,12,18,24,33H,7-8,11,13-17H2,1-2H3/t24-/m1/s1
InChIKeyTYKFUBYMPYLPTF-XMMPIXPASA-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)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone (CHEBI:126387) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37952LINCS