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

ChEBI IDCHEBI:16068
ChEBI Name2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid
Stars
DefinitionThe 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.
Secondary ChEBI IDsCHEBI:1273, CHEBI:11654, CHEBI:19773, CHEBI:136231
Last Modified23 March 2017
SubmitterBijay
DownloadsMolfile
FormulaC14H10O8
Net Charge0
Average Mass306.226
Monoisotopic Mass306.03757
SMILESO=C(Oc1cc(O)cc(O)c1C(=O)O)c1ccc(O)c(O)c1
InChIInChI=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)
InChIKeyGRXIELRCPYIEQI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoateKEGG COMPOUND
2-Protocatechuoyl phloroglucinolcarboxylateChemIDplus
2,4DiOH-6(2,4DiOHBenAcid)BenzAcidChemIDplus
2PCPGCASUBMITTER
Manual XrefsDatabases
C04524KEGG COMPOUND
HMDB0059651HMDB
Registry NumbersSources
Reaxys:3005017Reaxys
CAS:30048-34-1ChemIDplus
Citations