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CHEBI:169326 - 2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid

ChEBI IDCHEBI:169326
ChEBI Name2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O6
Net Charge0
Average Mass228.200
Monoisotopic Mass228.06339
SMILESCOc1c(O)cc(C(C)C(=O)O)c(O)c1O
InChIInChI=1S/C10H12O6/c1-4(10(14)15)5-3-6(11)9(16-2)8(13)7(5)12/h3-4,11-13H,1-2H3,(H,14,15)
InChIKeyNPAKTTCKAUMAFO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid (CHEBI:169326) is a ubiquinol (CHEBI:17976)
IUPAC Name 
2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid
Manual XrefsDatabases
74851611ChemSpider
HMDB0125034HMDB