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CHEBI:126322 - [(1S)-7-methoxy-1',9-dimethyl-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:126322
ChEBI Name[(1S)-7-methoxy-1',9-dimethyl-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC23H31N5O4S
Net Charge0
Average Mass473.599
Monoisotopic Mass473.20968
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(=O)(=O)c1cn(C)cn1)CC31CCN(C)CC1
InChIInChI=1S/C23H31N5O4S/c1-25-9-7-23(8-10-25)14-28(33(30,31)20-12-26(2)15-24-20)19(13-29)22-21(23)17-6-5-16(32-4)11-18(17)27(22)3/h5-6,11-12,15,19,29H,7-10,13-14H2,1-4H3/t19-/m1/s1
InChIKeyQPZHUVZKMSJJHL-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)-7-methoxy-1',9-dimethyl-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126322) is a harmala alkaloid (CHEBI:61379)
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