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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-methoxy-4-oxo-3-phenylbutanoate
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Accession:CHEBI:71190 term browser browse the term
Definition:A monocarboxylic acid anion that is the conjugate base of 4-methoxy-4-oxo-3-phenylbutanoic acid, obtained by deprotonation of the carboxy group.
Synonyms:related_synonym: 3-methoxycarbonyl-3-phenylbutanoate;   3-methoxycarbonyl-3-phenylbutyrate;   4-methoxy-4-oxo-3-phenylbutyrate;   Formula=C11H11O4;   InChI=1S/C11H12O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)/p-1;   InChIKey=KFUIOHIUIZFOOW-UHFFFAOYSA-M;   SMILES=C=1C=CC=CC1C(C(=O)OC)CC(=O)[O-]
 cyclic_relationship: is_conjugate_base_of CHEBI:71214


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22182
    chemical entity 22181
      molecular entity 22173
        ion 17677
          anion 16939
            organic anion 3679
              carboxylic acid anion 2517
                monocarboxylic acid anion 1606
                  4-methoxy-4-oxo-3-phenylbutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22182
    subatomic particle 22174
      composite particle 22174
        hadron 22174
          baryon 22174
            nucleon 22174
              atomic nucleus 22174
                atom 22174
                  main group element atom 22108
                    p-block element atom 22108
                      carbon group element atom 21909
                        carbon atom 21835
                          organic molecular entity 21835
                            organic ion 10068
                              organic anion 3679
                                carboxylic acid anion 2517
                                  monocarboxylic acid anion 1606
                                    4-methoxy-4-oxo-3-phenylbutanoate 0
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