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> Main
CHEBI:87247 - ethyl gallate
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ChEBI Ontology
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ChEBI Name
ethyl gallate
ChEBI ID
CHEBI:87247
Definition
A gallate ester obtained by the formal condensation of gallic acid with ethanol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O5
Net Charge
0
Average Mass
198.17270
Monoisotopic Mass
198.05282
InChI
InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
InChIKey
VFPFQHQNJCMNBZ-UHFFFAOYSA-N
SMILES
CCOC(=O)c1cc(O)c(O)c(O)c1
Metabolite of Species
Details
Dimocarpus longan
(NCBI:txid128017)
Found in seed
(BTO:0001226)
. See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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 Xref
Database
HMDB0033836
HMDB
View more database links
Registry Numbers
Types
Sources
2116014
Reaxys Registry Number
Reaxys
831-61-8
CAS Registry Number
NIST Chemistry WebBook
831-61-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24533783
PubMed citation
Europe PMC
25104086
PubMed citation
Europe PMC
26137691
PubMed citation
Europe PMC
Last Modified
31 July 2015