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CHEBI:126295 - (1S)-N-cyclopentyl-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126295
ChEBI Name(1S)-N-cyclopentyl-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC24H34N4O5S
Net Charge0
Average Mass490.626
Monoisotopic Mass490.22499
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)NC1CCCC1)CC31CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C24H34N4O5S/c1-33-17-7-8-18-19(13-17)26-22-20(14-29)28(23(30)25-16-5-3-4-6-16)15-24(21(18)22)9-11-27(12-10-24)34(2,31)32/h7-8,13,16,20,26,29H,3-6,9-12,14-15H2,1-2H3,(H,25,30)/t20-/m1/s1
InChIKeyILKVIRNAVJWQCH-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)-N-cyclopentyl-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126295) is a harmala alkaloid (CHEBI:61379)
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