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CHEBI:69262 - asnipyrone A

ChEBI IDCHEBI:69262
ChEBI Nameasnipyrone A
Stars
DefinitionA member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
Last Modified13 January 2014
DownloadsMolfile
FormulaC21H22O3
Net Charge0
Average Mass322.404
Monoisotopic Mass322.15689
SMILESCOc1cc(/C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1C
InChIInChI=1S/C21H22O3/c1-15(12-16(2)13-18-8-6-5-7-9-18)10-11-19-14-20(23-4)17(3)21(22)24-19/h5-14H,1-4H3/b11-10+,15-12+,16-13+
InChIKeyYDNWVTUIFJBROE-CYXONCDGSA-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)
asnipyrone A (CHEBI:69262) has role Aspergillus metabolite (CHEBI:76956)
asnipyrone A (CHEBI:69262) is a 2-pyranones (CHEBI:75885)
IUPAC Name 
6-[(1E,3E,5E)-3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl]-4-methoxy-3-methyl-2H-pyran-2-one
Registry NumbersSources
Reaxys:21856165Reaxys
Citations