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CHEBI:200098 - 2,3-dimethoxy-5-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione

ChEBI IDCHEBI:200098
ChEBI Name2,3-dimethoxy-5-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCOC1=C(OC)C(=O)C([C@@H](C)C(C)=O)=CC1=O
InChIInChI=1S/C12H14O5/c1-6(7(2)13)8-5-9(14)11(16-3)12(17-4)10(8)15/h5-6H,1-4H3/t6-/m0/s1
InChIKeyKVNLATMBLJHWHU-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Malbranchea (ncbitaxon:5040) - PubMed (14763557)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
2,3-dimethoxy-5-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione (CHEBI:200098) is a ubiquinones (CHEBI:16389)
IUPAC Name 
2,3-dimethoxy-5-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
8167357ChemSpider