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 ZINC000535385293
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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 Types Sources
20361326 PubMed citation Europe PMC
22510154 PubMed citation SUBMITTER
26025896 PubMed citation Europe PMC
26842393 PubMed citation Europe PMC
Last Modified
16 June 2020