chlorogenic acid 0 354.09508 354.311 knapsack:C00002724 O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O 3-O-Caffeoylquinic acid CHEBI:23145 Caffeoyl quinic acid metacyc.compound:CAFFEOYLQUINATE A cinnamate ester obtained by formal condensation of the carboxy group of <em>trans</em>-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. kegg.compound:C00852 cas:327-97-9 C16H18O9 edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid Chlorogenic acid reaxys:2017157 edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid chebi_ontology pubmed:16507475 3-Caffeoylquinic acid CHEBI:16112 hmdb:HMDB0003164 Chlorogenate CWVRJTMFETXNAD-JUHZACGLSA-N trans-5-O-Caffeoyl-D-quinate wikipedia.en:Chlorogenic_acid 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid CHEBI:13972 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+/t11-,12-,14-,16+/m1/s1 [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid pubmed:22770225 3-(3,4-Dihydroxycinnamoyl)quinic acid CHEBI:3625 caffeic acid