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CHEBI:128198 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:128198
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC29H32N4O4
Net Charge0
Average Mass500.599
Monoisotopic Mass500.24236
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C29H32N4O4/c1-19(35)33-18-29(27-23-9-8-22(36-2)15-24(23)30-28(27)25(33)17-34)10-12-32(13-11-29)16-21-14-26(37-31-21)20-6-4-3-5-7-20/h3-9,14-15,25,30,34H,10-13,16-18H2,1-2H3/t25-/m1/s1
InChIKeyAIQMCLHSJXWCQX-RUZDIDTESA-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)
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:128198) is a harmala alkaloid (CHEBI:61379)
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