2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid (CHEBI:68128)

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ChEBI Name	2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid

ChEBI ID	CHEBI:68128

Definition	A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 2 and a 2-(3,4-dihydroxy-5-methoxyphenyl)-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.

Supplier Information

Download	Molfile XML SDF

Formula

C16H14O7

Net Charge

Average Mass

318.27820

Monoisotopic Mass

318.07395

InChI

InChI=1S/C16H14O7/c1-23-13-7-9(6-12(19)15(13)20)11(18)5-8-3-2-4-10(17)14(8)16(21)22/h2-4,6-7,17,19-20H,5H2,1H3,(H,21,22)

InChIKey

RQTLRWYINSEUHU-UHFFFAOYSA-N

SMILES

COc1cc(cc(O)c1O)C(=O)Cc1cccc(O)c1C(O)=O

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.

ChEBI Ontology
Outgoing	2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid (CHEBI:68128) has role plant metabolite (CHEBI:76924) 2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid (CHEBI:68128) is a aromatic ketone (CHEBI:76224) 2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid (CHEBI:68128) is a catechols (CHEBI:33566) 2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid (CHEBI:68128) is a guaiacols (CHEBI:134251) 2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid (CHEBI:68128) is a monohydroxybenzoic acid (CHEBI:25389)

IUPAC Name

2-[2-(3,4-dihydroxy-5-methoxyphenyl)-2-oxoethyl]-6-hydroxybenzoic acid

Registry Number	Type	Source
21646958	Reaxys Registry Number	Reaxys

Citation	Type	Source
21650157	PubMed citation	Europe PMC

Last Modified

07 April 2017