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CHEBI:129082 - 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-methylsulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:129082
ChEBI Name2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-methylsulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC23H34N4O5S
Net Charge0
Average Mass478.615
Monoisotopic Mass478.22499
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C23H34N4O5S/c1-24(2)13-20(29)27-15-23(8-10-26(11-9-23)33(5,30)31)21-17-7-6-16(32-4)12-18(17)25(3)22(21)19(27)14-28/h6-7,12,19,28H,8-11,13-15H2,1-5H3/t19-/m0/s1
InChIKeyFSKDQLZOIAFXNF-IBGZPJMESA-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)
2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-methylsulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:129082) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40634LINCS