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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:pyraflufen
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Accession:CHEBI:138287 term browser browse the term
Definition:A monocarboxylic acid that is 2-chloro-4-fluorophenylacetic acid in which the phenyl group is substituted at position 5 by a 4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl group. A protoporphyrinogen oxidase inhibitor, it is used (usually as the corresponding ethyl ester proherbicide, pyraflufen-ethyl) for the control of broad-leaved weeds and grasses in a variety of crops.
Synonyms:exact_synonym: {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetic acid
 related_synonym: 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetic acid;   Formula=C13H9Cl2F3N2O4;   InChI=1S/C13H9Cl2F3N2O4/c1-20-12(24-13(17)18)10(15)11(19-20)5-2-8(23-4-9(21)22)6(14)3-7(5)16/h2-3,13H,4H2,1H3,(H,21,22);   InChIKey=YXIIPOGUBVYZIW-UHFFFAOYSA-N;   SMILES=C1(=C(C=C(C(=C1)OCC(O)=O)Cl)F)C2=NN(C(=C2Cl)OC(F)F)C;   [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetic acid;   pyraflufene
 xref: CAS:129630-17-7;   PPDB:1558;   Reaxys:11322210


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  CHEBI ontology 19811
    role 19818
      application 19630
        agrochemical 16259
          pyraflufen 0
            pyraflufen-ethyl 0
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  heteroarene 17114
                                    monocyclic heteroarene 14850
                                      azole 14355
                                        diazole 10467
                                          pyrazoles 2316
                                            pyraflufen 0
                                              pyraflufen-ethyl 0
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