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CHEBI:69256 - nigerapyrone A

ChEBI IDCHEBI:69256
ChEBI Namenigerapyrone A
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 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger.
Last Modified13 January 2014
DownloadsMolfile
FormulaC20H18O3
Net Charge0
Average Mass306.361
Monoisotopic Mass306.12559
SMILESCOc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1
InChIInChI=1S/C20H18O3/c1-13-9-14(2)20(15-7-5-4-6-8-15)17(10-13)18-11-16(22-3)12-19(21)23-18/h4-12H,1-3H3
InChIKeyPKGPVVFVJPDDHE-UHFFFAOYSA-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 A (CHEBI:69256) has role Aspergillus metabolite (CHEBI:76956)
nigerapyrone A (CHEBI:69256) is a 2-pyranones (CHEBI:75885)
nigerapyrone A (CHEBI:69256) is a ring assembly (CHEBI:36820)
IUPAC Name 
6-(4,6-dimethylbiphenyl-2-yl)-4-methoxy-2H-pyran-2-one
Registry NumbersSources
Reaxys:21856161Reaxys
Citations