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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:methyl 4-acetoxy-3-methoxycinnamate
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Accession:CHEBI:86585 term browser browse the term
Definition:A phenyl acetate obtained by the formal condensation of the carboxy group of acetic acid with the hydroxy group of methyl ferulate.
Synonyms:exact_synonym: methyl (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoate
 related_synonym: Formula=C13H14O5;   InChI=1S/C13H14O5/c1-9(14)18-11-6-4-10(8-12(11)16-2)5-7-13(15)17-3/h4-8H,1-3H3/b7-5+;   InChIKey=HLCZBCWZTSEZGB-FNORWQNLSA-N;   SMILES=COC(=O)\\C=C\\c1ccc(OC(C)=O)c(OC)c1;   acetylated methyl ferulate;   ferulic acid methyl ester acetate
 xref: Reaxys:2468600


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      chemical role 19442
        antioxidant 16141
          ferulic acid 986
            methyl 4-acetoxy-3-methoxycinnamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      monocarboxylic acid 17966
                                        alpha,beta-unsaturated monocarboxylic acid 13457
                                          cinnamic acids 2510
                                            hydroxycinnamic acid 1365
                                              monohydroxycinnamic acid 1022
                                                ferulic acids 986
                                                  ferulic acid 986
                                                    methyl 4-acetoxy-3-methoxycinnamate 0
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