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 to the corresponding methyl ether.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1615
Supplier Information
Download Molfile XML SDF
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 (Bronsted 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 July 2014