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CHEBI:130953 - [(1S)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130953
ChEBI Name[(1S)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-1-spiro[2,3-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(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C25H31N3O4S/c1-17-5-4-6-19(13-17)33(30,31)28-11-9-25(10-12-28)16-26-21(15-29)24-23(25)20-8-7-18(32-3)14-22(20)27(24)2/h4-8,13-14,21,26,29H,9-12,15-16H2,1-3H3/t21-/m1/s1
InChIKeyBIBACOGHJXNCPI-OAQYLSRUSA-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-4,4'-piperidine]yl]methanol (CHEBI:130953) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42501LINCS