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CHEBI:128793 - 1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-cyclopropylethanone

ChEBI IDCHEBI:128793
ChEBI Name1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-cyclopropylethanone
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DownloadsMolfile
FormulaC30H36ClN3O3
Net Charge0
Average Mass522.089
Monoisotopic Mass521.24452
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C30H36ClN3O3/c1-32-25-16-22(37-2)9-10-23(25)28-29(32)26(18-35)34(17-21-5-3-4-6-24(21)31)19-30(28)11-13-33(14-12-30)27(36)15-20-7-8-20/h3-6,9-10,16,20,26,35H,7-8,11-15,17-19H2,1-2H3/t26-/m1/s1
InChIKeyMDSJDARPNRSSLZ-AREMUKBSSA-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-4,4'-piperidine]yl]-2-cyclopropylethanone (CHEBI:128793) is a harmala alkaloid (CHEBI:61379)
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LSM-40345LINCS