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CHEBI:28647 - 3-O-methylgallic acid

ChEBI IDCHEBI:28647
ChEBI Name3-O-methylgallic acid
Stars
ASCII Name3-O-methylgallic acid
DefinitionA 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.
Secondary ChEBI IDCHEBI:1615
Last Modified28 April 2020
DownloadsMolfile
FormulaC8H8O5
Net Charge0
Average Mass184.147
Monoisotopic Mass184.03717
SMILESCOc1cc(C(=O)O)cc(O)c1O
InChIInChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)
InChIKeyKWCCUYSXAYTNKA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-O-methylgallate (CHEBI:19950) is conjugate base of 3-O-methylgallic acid (CHEBI:28647)
IUPAC Name 
3,4-dihydroxy-5-methoxybenzoic acid
Synonyms  Source
3-O-Methylgallic acidKEGG COMPOUND
4,5-Dihydroxy-m-anisic acidChemIDplus
gallic acid 3-methyl etherChEBI
Manual XrefsDatabases
C05616KEGG COMPOUND
Registry NumbersSources
Reaxys:2695762Reaxys
CAS:3934-84-7ChemIDplus