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CHEBI:128733 - [(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:128733
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
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DownloadsMolfile
FormulaC24H33N3O6S
Net Charge0
Average Mass491.610
Monoisotopic Mass491.20901
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C24H33N3O6S/c1-32-17-3-4-18-19(13-17)25-22-20(14-28)27(23(29)16-5-11-33-12-6-16)15-24(21(18)22)7-9-26(10-8-24)34(2,30)31/h3-4,13,16,20,25,28H,5-12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyOSCUPXLIQKAFLS-HXUWFJFHSA-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)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone (CHEBI:128733) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40287LINCS