CHEBI:155857 - dehydrocitreoisocoumarin

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ChEBI Name dehydrocitreoisocoumarin
ChEBI ID CHEBI:155857
Definition A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2,4-dioxopentyl group at position 3 and by hydroxy groups at positions 6 and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
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Formula C14H12O6
Net Charge 0
Average Mass 276.244
Monoisotopic Mass 276.06339
InChI InChI=1S/C14H12O6/c1-7(15)2-9(16)5-11-4-8-3-10(17)6-12(18)13(8)14(19)20-11/h3-4,6,17-18H,2,5H2,1H3
InChIKey XEKXZRSDQWXNPC-UHFFFAOYSA-N
SMILES C(C(CC1=CC=2C(C(O1)=O)=C(C=C(C2)O)O)=O)C(=O)C
Metabolite of Species Details
Aspergillus nidulans (NCBI:txid162425) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dehydrocitreoisocoumarin (CHEBI:155857) has role Aspergillus metabolite (CHEBI:76956)
dehydrocitreoisocoumarin (CHEBI:155857) is a β-diketone (CHEBI:67265)
dehydrocitreoisocoumarin (CHEBI:155857) is a heptaketide (CHEBI:59872)
dehydrocitreoisocoumarin (CHEBI:155857) is a isocoumarins (CHEBI:38758)
dehydrocitreoisocoumarin (CHEBI:155857) is a methyl ketone (CHEBI:51867)
dehydrocitreoisocoumarin (CHEBI:155857) is a phenols (CHEBI:33853)
IUPAC Name
1-(6,8-dihydroxy-1-oxo-1H-isochromen-3-yl)pentane-2,4-dione
Synonyms Sources
1-(6,8-dihydroxy-1-oxo-1H-2-benzopyran-3-yl)pentane-2,4-dione IUPAC
dehydrocitreoisocoumarin UniProt
Citations Waiting for Citations
Last Modified
16 June 2020