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CHEBI:69265 - nigerapyrone H

ChEBI IDCHEBI:69265
ChEBI Namenigerapyrone H
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 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1Z,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
Last Modified10 October 2013
DownloadsMolfile
FormulaC20H20O3
Net Charge0
Average Mass308.377
Monoisotopic Mass308.14124
SMILESCOc1cc(/C=C\C(C)=C\C(C)=C\c2ccccc2)oc(=O)c1
InChIInChI=1S/C20H20O3/c1-15(11-16(2)12-17-7-5-4-6-8-17)9-10-18-13-19(22-3)14-20(21)23-18/h4-14H,1-3H3/b10-9-,15-11+,16-12+
InChIKeyNLLRTVRDMOKHDF-BKSOJIHSSA-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 Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
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)
nigerapyrone H (CHEBI:69265) has role Aspergillus metabolite (CHEBI:76956)
nigerapyrone H (CHEBI:69265) has role metabolite (CHEBI:25212)
nigerapyrone H (CHEBI:69265) is a 2-pyranones (CHEBI:75885)
IUPAC Name 
6-[(1Z,3E,5E)-3,5-dimethyl-6-phenylhexa-1,3,5-trienyl]-4-methoxy-2H-pyran-2-one
Registry NumbersSources
Reaxys:21856162Reaxys
Citations