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CHEBI:126977 - [(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:126977
ChEBI Name[(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
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DownloadsMolfile
FormulaC30H36FN3O4
Net Charge0
Average Mass521.633
Monoisotopic Mass521.26898
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C30H36FN3O4/c1-37-23-5-6-24-25(16-23)32-28-26(18-35)34(29(36)21-7-13-38-14-8-21)19-30(27(24)28)9-11-33(12-10-30)17-20-3-2-4-22(31)15-20/h2-6,15-16,21,26,32,35H,7-14,17-19H2,1H3/t26-/m0/s1
InChIKeyIWQQPQHTVOLVIH-SANMLTNESA-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)
[(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone (CHEBI:126977) is a harmala alkaloid (CHEBI:61379)
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