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

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ChEBI Name 4,5-di-O-p-coumaroylquinic acid
ChEBI ID CHEBI:194119
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C25H24O10
Net Charge 0
Average Mass 484.457
Monoisotopic Mass 484.13695
InChI InChI=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
InChIKey NRDKGYVJVVIBTH-UZLNCMORSA-N
SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@@H]1OC(=O)/C=C/C3=CC=C(O)C=C3)C(O)=O
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.
(via quinic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,5-di-O-p-coumaroylquinic acid (CHEBI:194119) is a quinic acid (CHEBI:26493)