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CHEBI:130410 - (1S)-N-cyclopentyl-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:130410
ChEBI Name(1S)-N-cyclopentyl-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC28H40N4O3
Net Charge0
Average Mass480.653
Monoisotopic Mass480.31004
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C28H40N4O3/c1-30-23-15-21(35-2)9-10-22(23)25-26(30)24(17-33)32(16-19-7-8-19)18-28(25)11-13-31(14-12-28)27(34)29-20-5-3-4-6-20/h9-10,15,19-20,24,33H,3-8,11-14,16-18H2,1-2H3,(H,29,34)/t24-/m1/s1
InChIKeyBPYKPCIEMBPLBA-XMMPIXPASA-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-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130410) is a harmala alkaloid (CHEBI:61379)
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