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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:trans-5-O-caffeoyl-D-quinate
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Accession:CHEBI:57754 term browser browse the term
Definition:A hydroxy monocarboxylic acid anion that is the conjugate base of trans-5-O-caffeoyl-D-quinic acid; major species at pH 7.3.
Synonyms:exact_synonym: 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate
 related_synonym: (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate;   5-O-[(E)-caffeoyl]-D-quinate;   Formula=C16H17O9;   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)/p-1/b4-2+/t11-,12-,14+,16-/m1/s1;   InChIKey=CWVRJTMFETXNAD-NXLLHMKUSA-M;   SMILES=[H][C@]1(O)[C@H](O)C[C@@](O)(C[C@H]1OC(=O)\\C=C\\c1ccc(O)c(O)c1)C([O-])=O;   trans-5-O-caffeoyl-D-quinate anion
 xref: Beilstein:8082347
 cyclic_relationship: is_conjugate_base_of CHEBI:16384


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  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            eukaryotic metabolite 19303
              plant metabolite 17945
                trans-5-O-caffeoyl-D-quinate 0
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic ion 9854
                              organic anion 3609
                                carboxylic acid anion 2480
                                  monocarboxylic acid anion 1590
                                    hydroxy monocarboxylic acid anion 76
                                      trans-5-O-caffeoyl-D-quinate 0
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