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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:Chicoric acid
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Accession:CHEBI:3594 term browser browse the term
Definition:An organooxygen compound that has formula C22H18O12.
Synonyms:related_synonym: Formula=C22H18O12;   InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1;   InChIKey=YDDGKXBLOXEEMN-IABMMNSOSA-N;   SMILES=[C@H]([C@@H](OC(/C=C/C=1C=C(C(O)=CC1)O)=O)C(O)=O)(OC(/C=C/C=2C=C(C(O)=CC2)O)=O)C(O)=O;   dicaffeoyltartaric acid
 xref: CAS:70831-56-0;   KEGG:C10437;   KNApSAcK:C00002723
 xref_mesh: MESH:C100435
 xref: Wikipedia:Cichoric_acid


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  CHEBI ontology 227
    chemical entity 227
      atom 227
        nonmetal atom 220
          oxygen atom 185
            oxygen molecular entity 185
              organooxygen compound 167
                Chicoric acid 0
Path 2
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  CHEBI ontology 227
    subatomic particle 227
      composite particle 227
        hadron 227
          baryon 227
            nucleon 227
              atomic nucleus 227
                atom 227
                  main group element atom 220
                    p-block element atom 220
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            organic group 154
                              organic divalent group 153
                                organodiyl group 153
                                  carbonyl group 153
                                    carbonyl compound 153
                                      carboxylic acid 114
                                        tetracarboxylic acid 0
                                          Chicoric acid 0
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