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ChEBI
> Main
CHEBI:19950 - 3-
O
-methylgallate
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ChEBI Ontology
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ChEBI Name
3-
O
-methylgallate
ChEBI ID
CHEBI:19950
ChEBI ASCII Name
3-O-methylgallate
Definition
A member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-
O
-methylgallic acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H7O5
Net Charge
-1
Average Mass
183.13818
Monoisotopic Mass
183.02990
InChI
InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)/p-1
InChIKey
KWCCUYSXAYTNKA-UHFFFAOYSA-M
SMILES
COc1cc(cc(O)c1O)C([O-])=O
ChEBI Ontology
Outgoing
3-
O
-methylgallate (
CHEBI:19950
)
has functional parent
gallate (
CHEBI:16918
)
3-
O
-methylgallate (
CHEBI:19950
)
is a
benzoates (
CHEBI:22718
)
3-
O
-methylgallate (
CHEBI:19950
)
is conjugate base of
3-
O
-methylgallic acid (
CHEBI:28647
)
Incoming
3-
O
-methylgallic acid (
CHEBI:28647
)
is conjugate acid of
3-
O
-methylgallate (
CHEBI:19950
)
IUPAC Name
3,4-dihydroxy-5-methoxybenzoate
Synonyms
Sources
3-
O
-methylgallate
UniProt
4,5-Dihydroxy-
m
-anisate
ChEBI
Last Modified
23 October 2012