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CHEBI:185140 - (R)-3,4-Dimethoxydalbergione

ChEBI IDCHEBI:185140
ChEBI Name(R)-3,4-Dimethoxydalbergione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESC=C[C@@H](C1=CC(=O)C(OC)=C(OC)C1=O)c1ccccc1
InChIInChI=1S/C17H16O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12H,1H2,2-3H3/t12-/m1/s1
InChIKeyLJEJBLOFFDLRIH-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
(R)-3,4-Dimethoxydalbergione (CHEBI:185140) is a ubiquinones (CHEBI:16389)
IUPAC Name 
2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
LMPK12100076LIPID MAPS
102942ChemSpider
Registry NumbersSources
CAS:3755-64-4ChemIDplus