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CHEBI:127519 - cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:127519
ChEBI Namecyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC28H32N4O4
Net Charge0
Average Mass488.588
Monoisotopic Mass488.24236
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C28H32N4O4/c1-36-20-5-6-21-22(15-20)30-25-23(16-33)32(27(35)19-7-11-29-12-8-19)17-28(24(21)25)9-13-31(14-10-28)26(34)18-3-2-4-18/h5-8,11-12,15,18,23,30,33H,2-4,9-10,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyLGMCNRXMUXGMTC-HSZRJFAPSA-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)
cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:127519) is a harmala alkaloid (CHEBI:61379)
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