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CHEBI:130439 - [(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone

ChEBI IDCHEBI:130439
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone
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DownloadsMolfile
FormulaC24H28N4O5S
Net Charge0
Average Mass484.578
Monoisotopic Mass484.17804
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C24H28N4O5S/c1-33-17-3-4-18-19(13-17)26-22-20(14-29)28(34(2,31)32)15-24(21(18)22)7-11-27(12-8-24)23(30)16-5-9-25-10-6-16/h3-6,9-10,13,20,26,29H,7-8,11-12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyZQHFVYJIDWKTHE-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-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone (CHEBI:130439) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41988LINCS