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CHEBI:222249 - Coptirhoquinone A

ChEBI IDCHEBI:222249
ChEBI NameCoptirhoquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6S
Net Charge0
Average Mass286.305
Monoisotopic Mass286.05111
SMILESCOC(=O)CC1=C(SC)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C12H14O6S/c1-16-7(13)5-6-8(14)10(17-2)11(18-3)9(15)12(6)19-4/h5H2,1-4H3
InChIKeyMUUKBLGRNWMPEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rhodococcus (ncbitaxon:1827) - PubMed (30410008)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Coptirhoquinone A (CHEBI:222249) is a ubiquinones (CHEBI:16389)
IUPAC Name 
methyl 2-(4,5-dimethoxy-2-methylsulanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetate