CHEBI:155858 - 6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin

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ChEBI Name 6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin
ChEBI ID CHEBI:155858
Definition A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2-oxopropyl 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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Formula C12H10O5
Net Charge 0
Average Mass 234.207
Monoisotopic Mass 234.05282
InChI InChI=1S/C12H10O5/c1-6(13)2-9-4-7-3-8(14)5-10(15)11(7)12(16)17-9/h3-5,14-15H,2H2,1H3
InChIKey ASXQQFFJWJUYLO-UHFFFAOYSA-N
SMILES C(C1=CC=2C(C(O1)=O)=C(C=C(C2)O)O)C(C)=O
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 6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin (CHEBI:155858) has role Aspergillus metabolite (CHEBI:76956)
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin (CHEBI:155858) is a hexaketide (CHEBI:59870)
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin (CHEBI:155858) is a isocoumarins (CHEBI:38758)
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin (CHEBI:155858) is a methyl ketone (CHEBI:51867)
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin (CHEBI:155858) is a phenols (CHEBI:33853)
IUPAC Name
6,8-dihydroxy-3-(2-oxopropyl)-1H-isochromen-1-one
Synonyms Sources
3-(2-oxopropyl)-6,8-dihydroxyisocoumarin ChEBI
6,8-dihydroxy-3-(2-oxopropyl)-1H-2-benzopyran-1-one IUPAC
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin UniProt
6,8-dihydroxy-3-(2-oxopropyl)isochromen-1-one ChEBI
Citations Waiting for Citations Types Sources
20361326 PubMed citation Europe PMC
22510154 PubMed citation SUBMITTER
31963586 PubMed citation Europe PMC
Last Modified
16 June 2020