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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 495
    chemical entity 495
      molecular entity 495
        ion 32
          anion 27
            organic anion 8
              carboxylic acid anion 6
                monocarboxylic acid anion 3
                  4-methoxy-4-oxo-3-phenylbutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 495
    subatomic particle 495
      composite particle 495
        hadron 495
          baryon 495
            nucleon 495
              atomic nucleus 495
                atom 495
                  main group element atom 488
                    p-block element atom 488
                      carbon group element atom 477
                        carbon atom 476
                          organic molecular entity 476
                            organic ion 19
                              organic anion 8
                                carboxylic acid anion 6
                                  monocarboxylic acid anion 3
                                    4-methoxy-4-oxo-3-phenylbutanoate 0
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