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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:4-coumaroylshikimic acid
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Accession:CHEBI:16428 term browser browse the term
Definition:A cyclohexenecarboxylic acid that has formula C16H16O7.
Synonyms:exact_synonym: (3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylic acid
 related_synonym: 4-Coumaroylshikimate;   Formula=C16H16O7;   InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1;   InChIKey=GVECSFFLZYNEBO-PDXJTRCTSA-N;   SMILES=O[C@@H]1C=C(C[C@@H](OC(=O)\\C=C\\c2ccc(O)cc2)[C@@H]1O)C(O)=O;   trans-5-O-(4-coumaroyl)shikimate
 alt_id: CHEBI:11980;   CHEBI:1814;   CHEBI:20350
 xref: KEGG:C02947
 cyclic_relationship: is_conjugate_acid_of CHEBI:57768

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              plant metabolite 0
                shikimic acid 0
                  4-coumaroylshikimic acid 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        cyclohexenecarboxylic acid 0
                                          shikimic acid 0
                                            4-coumaroylshikimic acid 0
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