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CHEBI:194119 - 4,5-di-O-p-coumaroylquinic acid

ChEBI IDCHEBI:194119
ChEBI Name4,5-di-O-p-coumaroylquinic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H24O10
Net Charge0
Average Mass484.457
Monoisotopic Mass484.13695
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](O)C[C@@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C25H24O10/c26-17-7-1-15(2-8-17)5-11-21(29)34-20-14-25(33,24(31)32)13-19(28)23(20)35-22(30)12-6-16-3-9-18(27)10-4-16/h1-12,19-20,23,26-28,33H,13-14H2,(H,31,32)/b11-5+,12-6+/t19-,20-,23-,25+/m1/s1
InChIKeyNRDKGYVJVVIBTH-UZLNCMORSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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)
4,5-di-O-p-coumaroylquinic acid (CHEBI:194119) is a quinic acid (CHEBI:26493)