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CHEBI:127402 - [(1S)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:127402
ChEBI Name[(1S)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC23H27N3O4S
Net Charge0
Average Mass441.553
Monoisotopic Mass441.17223
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1
InChIInChI=1S/C23H27N3O4S/c1-15-5-4-6-17(9-15)31(28,29)26-13-23(14-26)12-24-19(11-27)22-21(23)18-8-7-16(30-3)10-20(18)25(22)2/h4-10,19,24,27H,11-14H2,1-3H3/t19-/m1/s1
InChIKeyCBABKMAMAPWWJY-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-9-methyl-1'-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:127402) is a harmala alkaloid (CHEBI:61379)
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