CHEBI:16068 - 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid

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ChEBI Name 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid
ChEBI ID CHEBI:16068
Definition The 2-(3,4-dihydroxybenzoyl) derivative of 2,4,6-trihydroxybenzoic acid. A metabolite of quercetin, an abundant flavonoid found in edible vegetables, grains and fruits which is used as an ingredient in supplements, beverages, or foods.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Secondary ChEBI IDs CHEBI:136231, CHEBI:1273, CHEBI:11654, CHEBI:19773
Supplier Information
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Formula C14H10O8
Net Charge 0
Average Mass 306.225
Monoisotopic Mass 306.03757
InChI InChI=1S/C14H10O8/c15-7-4-10(18)12(13(19)20)11(5-7)22-14(21)6-1-2-8(16)9(17)3-6/h1-5,15-18H,(H,19,20)
InChIKey GRXIELRCPYIEQI-UHFFFAOYSA-N
SMILES C1(=C(C(=CC(=C1)O)O)C(O)=O)OC(C=2C=C(C(=CC2)O)O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid (CHEBI:16068) is a benzoate ester (CHEBI:36054)
2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid (CHEBI:16068) is a dihydroxybenzoic acid (CHEBI:23778)
2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid (CHEBI:16068) is conjugate acid of 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate (CHEBI:57628)
Incoming 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate (CHEBI:57628) is conjugate base of 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid (CHEBI:16068)
IUPAC Name
2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid
Synonyms Sources
2,4DiOH-6(2,4DiOHBenAcid)BenzAcid ChemIDplus
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate KEGG COMPOUND
2-Protocatechuoyl phloroglucinolcarboxylate ChemIDplus
2PCPGCA SUBMITTER
Manual Xrefs Databases
C04524 KEGG COMPOUND
HMDB0059651 HMDB
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Registry Numbers Types Sources
30048-34-1 CAS Registry Number ChemIDplus
3005017 Reaxys Registry Number Reaxys
3005017 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
12105970 PubMed citation Europe PMC
Last Modified
23 March 2017