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CHEBI:68127 - 2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid

Default Structure
ChEBI IDCHEBI:68127
ChEBI Name2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid
Stars
DefinitionA monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 2 and a 2-(3,4-dihydroxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica.
Last Modified3 December 2013
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESO=C(Cc1cccc(O)c1C(=O)O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H12O6/c16-10-5-4-8(6-13(10)19)12(18)7-9-2-1-3-11(17)14(9)15(20)21/h1-6,16-17,19H,7H2,(H,20,21)
InChIKeyFIXMXSICQFRCLX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68127) has role metabolite (CHEBI:25212)
2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68127) has role plant metabolite (CHEBI:76924)
2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68127) is a aromatic ketone (CHEBI:76224)
2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68127) is a catechols (CHEBI:33566)
2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68127) is a monohydroxybenzoic acid (CHEBI:25389)
IUPAC Name 
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-6-hydroxybenzoic acid
Registry NumbersSources
Reaxys:21646957Reaxys
Citations