CHEBI:175533 - trans-Chlorogenic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name trans-Chlorogenic acid
ChEBI ID CHEBI:175533
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H18O9
Net Charge 0
Average Mass 354.311
Monoisotopic Mass 354.09508
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-
InChIKey CWVRJTMFETXNAD-RQOWECAXSA-N
SMILES O(C1CC(O)(CC(O)C1O)C(O)=O)C(=O)/C=C\C2=CC(O)=C(O)C=C2
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 trans-Chlorogenic acid (CHEBI:175533) is a quinic acid (CHEBI:26493)
IUPAC Name
3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Manual Xrefs Databases
21427391 ChemSpider
HMDB0032849 HMDB
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