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CHEBI:125883 - [(1S)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-(phenylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:125883
ChEBI Name[(1S)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-(phenylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC29H31N3O4S
Net Charge0
Average Mass517.651
Monoisotopic Mass517.20353
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CN(Cc2ccccc2)C1
InChIInChI=1S/C29H31N3O4S/c1-20-8-11-23(12-9-20)37(34,35)32-19-29(17-31(18-29)15-21-6-4-3-5-7-21)27-24-13-10-22(36-2)14-25(24)30-28(27)26(32)16-33/h3-14,26,30,33H,15-19H2,1-2H3/t26-/m1/s1
InChIKeyJTFSEXKUFLVCKF-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)
[(1S)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-(phenylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:125883) is a harmala alkaloid (CHEBI:61379)
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