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

ChEBI IDCHEBI:155858
ChEBI Name6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin
Stars
DefinitionA 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.
Last Modified16 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H10O5
Net Charge0
Average Mass234.207
Monoisotopic Mass234.05282
SMILESCC(=O)Cc1cc2cc(O)cc(O)c2c(=O)o1
InChIInChI=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
InChIKeyASXQQFFJWJUYLO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (22510154)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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  Source
6,8-dihydroxy-3-(2-oxopropyl)-1H-2-benzopyran-1-oneIUPAC
3-(2-oxopropyl)-6,8-dihydroxyisocoumarinChEBI
6,8-dihydroxy-3-(2-oxopropyl)isochromen-1-oneChEBI
UniProt Name  Source
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarinUniProt
Citations