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CHEBI:129096 - [(1R)-1'-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:129096
ChEBI Name[(1R)-1'-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC26H33N3O6S2
Net Charge0
Average Mass547.699
Monoisotopic Mass547.18108
SMILESCCS(=O)(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H33N3O6S2/c1-4-36(31,32)28-13-11-26(12-14-28)17-29(37(33,34)20-8-5-18(2)6-9-20)23(16-30)25-24(26)21-10-7-19(35-3)15-22(21)27-25/h5-10,15,23,27,30H,4,11-14,16-17H2,1-3H3/t23-/m0/s1
InChIKeyQUZRCXDMVHPMHI-QHCPKHFHSA-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)
[(1R)-1'-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:129096) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40647LINCS