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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:isoxaflutole
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Accession:CHEBI:141213 term browser browse the term
Definition:A member of the class of isoxazoles that is 1,2-oxazole substituted by a 2-(methanesulfonyl)-4-(trifluoromethyl)benzoyl group and a cyclopropyl group at positions 4 and 5, respectively. It is a 4-hydroxyphenylpyruvate dioxygenase inhibitor which is used as a herbicide for weed control in maize and sugarcane.
Synonyms:exact_synonym: (5-cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
 related_synonym: (5-cyclopropyl-1,2-oxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone;   (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone;   (5-cyclopropylisoxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone;   5-cyclopropyl-1,2-oxazol-4-yl alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl ketone;   5-cyclopropyl-4-[2-methanesulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole;   Balance;   EXP 31130A;   Formula=C15H12F3NO4S;   InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3;   InChIKey=OYIKARCXOQLFHF-UHFFFAOYSA-N;   Merlin;   RP 201772;   RPA 201772;   SMILES=CS(C=1C=C(C=CC1C(C=2C=NOC2C3CC3)=O)C(F)(F)F)(=O)=O
 xref: AGR:IND44260626;   AGR:IND601309029;   CAS:141112-29-0;   DrugBank:DB12938;   PMID:10858299;   PMID:11455644;   PMID:12236689;   PMID:12502399;   PMID:15092948;   PMID:19333913;   PMID:22677522;   PMID:29170513;   Patent:EP527036;   Reaxys:8344543


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  CHEBI ontology 19831
    role 19807
      application 19650
        agrochemical 16289
          isoxaflutole 0
Path 2
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  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
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            organic hydride 18674
                              organic fundamental parent 18674
                                hydrocarbon 18410
                                  halohydrocarbon 15496
                                    haloalkane 12288
                                      fluoroalkane 8088
                                        fluoromethanes 6756
                                          tetrafluoromethane 6756
                                            trifluoromethyl group 6756
                                              (trifluoromethyl)benzenes 6756
                                                isoxaflutole 0
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