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> Main
CHEBI:28647 - 3-
O
-methylgallic acid
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ChEBI Name
3-
O
-methylgallic acid
ChEBI ID
CHEBI:28647
ChEBI ASCII Name
3-O-methylgallic acid
Definition
A member of the class of benzoic acids that is gallic acid in which the phenolic hydroxy group at position 3 is converted into the corresponding methyl ether.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1615
Supplier Information
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Formula
C8H8O5
Net Charge
0
Average Mass
184.14612
Monoisotopic Mass
184.03717
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)
InChIKey
KWCCUYSXAYTNKA-UHFFFAOYSA-N
SMILES
COc1cc(cc(O)c1O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-
O
-methylgallic acid (
CHEBI:28647
)
has functional parent
gallic acid (
CHEBI:30778
)
3-
O
-methylgallic acid (
CHEBI:28647
)
is a
benzoic acids (
CHEBI:22723
)
3-
O
-methylgallic acid (
CHEBI:28647
)
is a
catechols (
CHEBI:33566
)
3-
O
-methylgallic acid (
CHEBI:28647
)
is conjugate acid of
3-
O
-methylgallate (
CHEBI:19950
)
Incoming
3-
O
-methylgallate (
CHEBI:19950
)
is conjugate base of
3-
O
-methylgallic acid (
CHEBI:28647
)
IUPAC Name
3,4-dihydroxy-5-methoxybenzoic acid
Synonyms
Sources
3-O-Methylgallic acid
KEGG COMPOUND
4,5-Dihydroxy-m-anisic acid
ChemIDplus
gallic acid 3-methyl ether
ChEBI
Manual Xref
Database
C05616
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2695762
Reaxys Registry Number
Reaxys
2695762
Beilstein Registry Number
Beilstein
3934-84-7
CAS Registry Number
ChemIDplus
Last Modified
28 April 2020