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

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ChEBI Name	2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid

ChEBI ID	CHEBI:68127

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C15H12O6

Net Charge

Average Mass

288.25220

Monoisotopic Mass

288.06339

InChI

InChI=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)

InChIKey

FIXMXSICQFRCLX-UHFFFAOYSA-N

SMILES

OC(=O)c1c(O)cccc1CC(=O)c1ccc(O)c(O)c1

Metabolite of Species	Details
Scorzonera judaica (NCBI:txid895824-1)	Found in tuberous root (BTO:0001309). Dried powdered roots See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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 Number	Type	Source
21646957	Reaxys Registry Number	Reaxys

Citation	Type	Source
21650157	PubMed citation	Europe PMC

Last Modified

03 December 2013