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CHEBI:128066 - [(1S)-1'-[(4-chlorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:128066
ChEBI Name[(1S)-1'-[(4-chlorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC23H26ClN3O2
Net Charge0
Average Mass411.933
Monoisotopic Mass411.17135
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O2/c1-26-20-9-17(29-2)7-8-18(20)21-22(26)19(11-28)25-12-23(21)13-27(14-23)10-15-3-5-16(24)6-4-15/h3-9,19,25,28H,10-14H2,1-2H3/t19-/m1/s1
InChIKeyTUKXRLDGXQBHTQ-LJQANCHMSA-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)
[(1S)-1'-[(4-chlorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:128066) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39622LINCS