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CHEBI:209862 - Isochromophilone VII

Default Structure
ChEBI IDCHEBI:209862
ChEBI NameIsochromophilone VII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25ClO6
Net Charge0
Average Mass408.878
Monoisotopic Mass408.13397
SMILESCCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2(O)CO1
InChIInChI=1S/C21H25ClO6/c1-6-12(2)9-13(3)7-8-15-10-16-17(22)18(24)20(5,28-14(4)23)19(25)21(16,26)11-27-15/h7-10,12,26H,6,11H2,1-5H3/b8-7+,13-9+
InChIKeyAJQIMDBOBJADCM-NJHPPEEMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (8626234)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Isochromophilone VII (CHEBI:209862) is a azaphilone (CHEBI:50941)
IUPAC Name 
[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate
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4947550ChemSpider