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CHEBI:127693 - [(1S)-2-[(3-chlorophenyl)methyl]-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:127693
ChEBI Name[(1S)-2-[(3-chlorophenyl)methyl]-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC25H30ClN3O4S
Net Charge0
Average Mass504.052
Monoisotopic Mass503.16456
SMILESCCS(=O)(=O)N1CC2(CN(Cc3cccc(Cl)c3)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1
InChIInChI=1S/C25H30ClN3O4S/c1-4-34(31,32)29-15-25(16-29)14-28(12-17-6-5-7-18(26)10-17)22(13-30)24-23(25)20-9-8-19(33-3)11-21(20)27(24)2/h5-11,22,30H,4,12-16H2,1-3H3/t22-/m1/s1
InChIKeyGOQJZKLLZQSRHQ-JOCHJYFZSA-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)-2-[(3-chlorophenyl)methyl]-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:127693) is a harmala alkaloid (CHEBI:61379)
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