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CHEBI:124980 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:124980
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC30H30FN5O4
Net Charge0
Average Mass543.599
Monoisotopic Mass543.22818
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C30H30FN5O4/c1-34-24-14-22(40-2)7-8-23(24)27-28(34)25(15-37)36(29(39)33-21-5-3-20(31)4-6-21)18-30(27)16-35(17-30)26(38)13-19-9-11-32-12-10-19/h3-12,14,25,37H,13,15-18H2,1-2H3,(H,33,39)/t25-/m1/s1
InChIKeyCEPZICVICYWMMK-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)
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:124980) is a harmala alkaloid (CHEBI:61379)
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