EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69410 - p-fluoro nygerone B

Default Structure
ChEBI IDCHEBI:69410
ChEBI Namep-fluoro nygerone B
Stars
ASCII Namep-fluoro nygerone B
DefinitionA member of the class of 4-pyridones that is nygerone B in which the N-phenyl substituent has been fluorinated at the para position. It has been isolated from Aspergillus niger ATCC 1015.
Last Modified22 August 2016
DownloadsMolfile
FormulaC19H15FN2O2
Net Charge0
Average Mass322.339
Monoisotopic Mass322.11176
SMILESNC(=O)c1cn(-c2ccc(F)cc2)c(Cc2ccccc2)cc1=O
InChIInChI=1S/C19H15FN2O2/c20-14-6-8-15(9-7-14)22-12-17(19(21)24)18(23)11-16(22)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,24)
InChIKeyTWNGKZFQXRPPSG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (21854017)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
p-fluoro nygerone B (CHEBI:69410) has functional parent nygerone B (CHEBI:69409)
p-fluoro nygerone B (CHEBI:69410) has role Aspergillus metabolite (CHEBI:76956)
p-fluoro nygerone B (CHEBI:69410) is a 4-pyridones (CHEBI:20485)
p-fluoro nygerone B (CHEBI:69410) is a biaryl (CHEBI:64459)
p-fluoro nygerone B (CHEBI:69410) is a monocarboxylic acid amide (CHEBI:29347)
p-fluoro nygerone B (CHEBI:69410) is a monofluorobenzenes (CHEBI:83575)
IUPAC Name 
6-benzyl-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
Registry NumbersSources
Reaxys:21897864Reaxys
Citations