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CHEBI:184460 - (R)-4'-Hydroxy-3,4-dimethoxydalbergione

ChEBI IDCHEBI:184460
ChEBI Name(R)-4'-Hydroxy-3,4-dimethoxydalbergione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESC=C[C@@H](C1=CC(=O)C(OC)=C(OC)C1=O)c1ccc(O)cc1
InChIInChI=1S/C17H16O5/c1-4-12(10-5-7-11(18)8-6-10)13-9-14(19)16(21-2)17(22-3)15(13)20/h4-9,12,18H,1H2,2-3H3/t12-/m1/s1
InChIKeyXQFOJEJSFFKOCN-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)-4'-Hydroxy-3,4-dimethoxydalbergione (CHEBI:184460) is a ubiquinones (CHEBI:16389)
IUPAC Name 
5-[(1R)-1-(4-hydroxyphenyl)prop-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
24843149ChemSpider
LMPK12100077LIPID MAPS