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CHEBI:128046 - [(1S)-7-methoxy-2-methyl-1'-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128046
ChEBI Name[(1S)-7-methoxy-2-methyl-1'-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC25H31N3O4S
Net Charge0
Average Mass469.607
Monoisotopic Mass469.20353
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C25H31N3O4S/c1-17-4-7-19(8-5-17)33(30,31)28-12-10-25(11-13-28)16-27(2)22(15-29)24-23(25)20-9-6-18(32-3)14-21(20)26-24/h4-9,14,22,26,29H,10-13,15-16H2,1-3H3/t22-/m1/s1
InChIKeyIDTLSUBVBUIIPR-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)-7-methoxy-2-methyl-1'-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128046) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39602LINCS