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CHEBI:88714 - 2,3,4-trihydroxybenzoic acid

ChEBI IDCHEBI:88714
ChEBI Name2,3,4-trihydroxybenzoic acid
Stars
DefinitionA trihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2, 3, and 4.
Last Modified12 June 2024
DownloadsMolfile
FormulaC7H6O5
Net Charge0
Average Mass170.120
Monoisotopic Mass170.02152
SMILESO=C(O)c1ccc(O)c(O)c1O
InChIInChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKeyBRRSNXCXLSVPFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Quercus mongolica (ncbitaxon:103485) leaf (BTO:0000713) PubMed (37611226)
Roles Classification
Chemical Roles:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2,3,4-trihydroxybenzoic acid (CHEBI:88714) has role plant metabolite (CHEBI:76924)
2,3,4-trihydroxybenzoic acid (CHEBI:88714) has role radical scavenger (CHEBI:48578)
2,3,4-trihydroxybenzoic acid (CHEBI:88714) is a monocarboxylic acid (CHEBI:25384)
2,3,4-trihydroxybenzoic acid (CHEBI:88714) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Name 
2,3,4-trihydroxybenzoic acid
Synonyms  Source
4-pyrogallolcarboxylic acidNIST Chemistry WebBook
2,3,4-trihydroxybenzenecarboxylic acidChEBI
pyrogallol-4-carboxylic acidChEBI
2,3,4-THBAChEBI
pyrogallic acid-4-carboxylic acidNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0059964HMDB
C00055642KNApSAcK
Registry NumbersSources
Reaxys:2210807Reaxys
CAS:610-02-6NIST Chemistry WebBook
Citations