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ChEBI
> Main
CHEBI:155857 - dehydrocitreoisocoumarin
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ChEBI Name
dehydrocitreoisocoumarin
ChEBI ID
CHEBI:155857
Definition
A member of the class of isocoumarins that is 1
H
-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
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Molfile
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Molfile
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-1
H
-isochromen-3-yl)pentane-2,4-dione
Synonyms
Sources
1-(6,8-dihydroxy-1-oxo-1
H
-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