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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 April 2020