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CHEBI:68126 - 2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid

ChEBI IDCHEBI:68126
ChEBI Name2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid
Stars
DefinitionA monohydroxybenzoic acid that is 2-hydroxybenzoic acid substituted by a 2-(4-hydroxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica.
Last Modified3 December 2013
DownloadsMolfile
FormulaC15H12O5
Net Charge0
Average Mass272.256
Monoisotopic Mass272.06847
SMILESO=C(Cc1cccc(O)c1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H12O5/c16-11-6-4-9(5-7-11)13(18)8-10-2-1-3-12(17)14(10)15(19)20/h1-7,16-17H,8H2,(H,19,20)
InChIKeyYIGHIFUVVSYMFG-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-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68126) has role metabolite (CHEBI:25212)
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68126) has role plant metabolite (CHEBI:76924)
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68126) is a aromatic ketone (CHEBI:76224)
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68126) is a monohydroxybenzoic acid (CHEBI:25389)
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid (CHEBI:68126) is a phenols (CHEBI:33853)
IUPAC Name 
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoic acid
Registry NumbersSources
Reaxys:21646956Reaxys
Citations