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CHEBI:213639 - Aculeatusquinone A

ChEBI IDCHEBI:213639
ChEBI NameAculeatusquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCC1=C(O)C(=O)C(C)=C(Oc2cc(C)cc(O)c2C)C1=O
InChIInChI=1S/C16H16O5/c1-7-5-11(17)8(2)12(6-7)21-16-10(4)14(19)13(18)9(3)15(16)20/h5-6,17-18H,1-4H3
InChIKeyUYEYZGKXIGOAJX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - DOI (10.3987/com-13-12667)
ChEBI Ontology
Outgoing Relation(s)
Aculeatusquinone A (CHEBI:213639) is a phenols (CHEBI:33853)
Aculeatusquinone A (CHEBI:213639) is a xylene (CHEBI:27338)
IUPAC Name 
2-hydroxy-5-(3-hydroxy-2,5-dimethylphenoxy)-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
28945545ChemSpider