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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-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid
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Accession:CHEBI:39319 term browser browse the term
Definition:An organofluorine compound consisting of cyclopropanecarboxylic acid having a 2-chloro-3,3,3-trifluoroprop-1-en-1-yl group at the 3-position and two methyl groups at the 2-position.
Synonyms:xref: CAS:74609-46-4;   Reaxys:1969652
 chemrof_formula: C9H10ClF3O2
 chemrof_smiles: CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)O
 chemrof_inchi: InChI=1S/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)
 chemrof_inchikey: SPVZAYWHHVLPBN-UHFFFAOYSA-N
 cyclic_relationship: has_functional_parent CHEBI:23500


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Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    chemical entity 20872
      molecular entity 20871
        polyatomic entity 20745
          heteroatomic molecular entity 20606
            halide 19159
              organohalogen compound 18976
                organochlorine compound 18723
                  3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  carbon oxoacid 17678
                                    carboxylic acid 17675
                                      monocarboxylic acid 17142
                                        3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid 0
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