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CHEBI:69258 - nigerapyrone C

ChEBI IDCHEBI:69258
ChEBI Namenigerapyrone C
Stars
DefinitionA member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
Last Modified13 January 2014
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESCOc1cc(/C=C/C(C)=C/C(C)=O)oc(=O)c1
InChIInChI=1S/C13H14O4/c1-9(6-10(2)14)4-5-11-7-12(16-3)8-13(15)17-11/h4-8H,1-3H3/b5-4+,9-6+
InChIKeyLGJCELWOOPXKFE-HSKKLARCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) mycelium (BTO:0001436) PubMed (21774474) EtOAc extract of mycelium and broth, Endophytic fungus in inner tissue (fresh) of Avicennia marina Strain: MA 132
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
nigerapyrone C (CHEBI:69258) has role Aspergillus metabolite (CHEBI:76956)
nigerapyrone C (CHEBI:69258) is a 2-pyranones (CHEBI:75885)
nigerapyrone C (CHEBI:69258) is a methyl ketone (CHEBI:51867)
IUPAC Name 
4-methoxy-6-[(1E,3E)-3-methyl-5-oxohexa-1,3-dien-1-yl]-2H-pyran-2-one
Registry NumbersSources
Reaxys:21856159Reaxys
Citations