CHEBI:176887 - trans-4-p-coumaroylquinic acid

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ChEBI Name trans-4-p-coumaroylquinic acid
ChEBI ID CHEBI:176887
ChEBI ASCII Name trans-4-p-coumaroylquinic acid
Definition A 4-p-coumaroylquinic acid in which the double bond adopts a trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C16H18O8
Net Charge 0
Average Mass 338.312
Monoisotopic Mass 338.10017
InChI InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1
InChIKey XWRHBGVVCOSNKO-OTCYKTEZSA-N
SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O
Metabolite of Species Details
Juglans regia (NCBI:txid51240) Found in leaf (BTO:0000713). 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.
(via 4-p-coumaroylquinic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-4-p-coumaroylquinic acid (CHEBI:176887) has role plant metabolite (CHEBI:76924)
trans-4-p-coumaroylquinic acid (CHEBI:176887) is a 4-p-coumaroylquinic acid (CHEBI:1945)
IUPAC Name
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
Synonyms Sources
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid IUPAC
(E)-4-p-coumaroylquinic acid ChEBI
trans-4-coumaroylquinic acid ChEBI
trans-4-O-coumaroylquinic acid ChEBI
trans-4-O-p-coumaroylquinic acid ChEBI
Manual Xref Database
22912791 ChemSpider
View more database links
Registry Number Type Source
1108200-72-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
29762631 PubMed citation Europe PMC
Last Modified
09 August 2021