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CHEBI:126100 - (1R)-2-acetyl-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126100
ChEBI Name(1R)-2-acetyl-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC26H28F2N4O4
Net Charge0
Average Mass498.530
Monoisotopic Mass498.20786
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C26H28F2N4O4/c1-15(34)32-14-26(23-18-5-4-17(36-2)12-21(18)29-24(23)22(32)13-33)7-9-31(10-8-26)25(35)30-20-6-3-16(27)11-19(20)28/h3-6,11-12,22,29,33H,7-10,13-14H2,1-2H3,(H,30,35)/t22-/m0/s1
InChIKeyGCLZSVQZAJNLBF-QFIPXVFZSA-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)-2-acetyl-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126100) is a harmala alkaloid (CHEBI:61379)
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