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CHEBI:131121 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:131121
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H28FN5O4
Net Charge0
Average Mass529.572
Monoisotopic Mass529.21253
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)c2cccnc2)C1
InChIInChI=1S/C29H28FN5O4/c1-33-23-12-21(39-2)9-10-22(23)25-26(33)24(14-36)35(28(38)32-20-7-5-19(30)6-8-20)17-29(25)15-34(16-29)27(37)18-4-3-11-31-13-18/h3-13,24,36H,14-17H2,1-2H3,(H,32,38)/t24-/m0/s1
InChIKeyMITHLIFONVYSRL-DEOSSOPVSA-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-9-methyl-1'-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:131121) is a harmala alkaloid (CHEBI:61379)
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