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CHEBI:126564 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126564
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC30H37FN4O4
Net Charge0
Average Mass536.648
Monoisotopic Mass536.27988
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(CC2CCOCC2)CC1
InChIInChI=1S/C30H37FN4O4/c1-38-23-6-7-24-25(16-23)33-28-26(18-36)35(29(37)32-22-4-2-21(31)3-5-22)19-30(27(24)28)10-12-34(13-11-30)17-20-8-14-39-15-9-20/h2-7,16,20,26,33,36H,8-15,17-19H2,1H3,(H,32,37)/t26-/m0/s1
InChIKeyGVJSQBJXEXIZTI-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)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126564) is a harmala alkaloid (CHEBI:61379)
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