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CHEBI:222293 - Asperjinone

ChEBI IDCHEBI:222293
ChEBI NameAsperjinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O6
Net Charge0
Average Mass380.396
Monoisotopic Mass380.12599
SMILESCC1(C)O[C@H]1Cc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O
InChIInChI=1S/C22H20O6/c1-22(2)18(28-22)11-14-9-12(3-8-17(14)24)10-16-19(21(26)27-20(16)25)13-4-6-15(23)7-5-13/h3-9,18,23-24H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyCKIQGFVEMXGQMC-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (22360613)
ChEBI Ontology
Outgoing Relation(s)
Asperjinone (CHEBI:222293) is a phenols (CHEBI:33853)
IUPAC Name 
3-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-(4-hydroxyphenyl)uran-2,5-dione
Manual XrefsDatabases
28521641ChemSpider