CHEBI:87247 - ethyl gallate

ChEBI IDCHEBI:87247
ChEBI Nameethyl gallate
Stars
DefinitionA gallate ester obtained by the formal condensation of gallic acid with ethanol.
Last Modified31 July 2015
Submitternamrata
DownloadsMolfile
FormulaC9H10O5
Net Charge0
Average Mass198.174
Monoisotopic Mass198.05282
SMILESCCOC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
InChIKeyVFPFQHQNJCMNBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dimocarpus longan (ncbitaxon:128017) seed (BTO:0001226) PubMed (24533783])
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
ethyl gallate (CHEBI:87247) has role plant metabolite (CHEBI:76924)
ethyl gallate (CHEBI:87247) is a gallate ester (CHEBI:37576)
IUPAC Name 
ethyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0033836HMDB
Registry NumbersSources
Reaxys:2116014Reaxys
CAS:831-61-8ChemIDplus
CAS:831-61-8NIST Chemistry WebBook
Citations