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3-O-feruloyl-D-quinic acid - Ontology Report - Rat Genome Database

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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:3-O-feruloyl-D-quinic acid
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Accession:CHEBI:86388 term browser browse the term
Definition:A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid.
Synonyms:exact_synonym: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
 related_synonym: Formula=C17H20O9;   InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1;   InChIKey=RAGZUCNPTLULOL-KJJWLSQTSA-N;   SMILES=COc1cc(\\C=C\\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)ccc1O

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  CHEBI ontology 19887
    role 19858
      chemical role 19483
        antioxidant 16181
          trans-ferulic acid 977
            3-O-feruloyl-D-quinic acid 0
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  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    p-block element atom 19824
                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organooxygen compound 19197
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      monocarboxylic acid 18012
                                        alpha,beta-unsaturated monocarboxylic acid 13456
                                          cinnamic acids 2551
                                            hydroxycinnamic acid 1409
                                              monohydroxycinnamic acid 1061
                                                ferulic acids 1024
                                                  ferulic acid 1024
                                                    trans-ferulic acid 977
                                                      3-O-feruloyl-D-quinic acid 0
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