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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 26034
    role 25961
      application 25172
        agrochemical 17514
          isoxaflutole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    main group molecular entity 25834
                      s-block molecular entity 25166
                        hydrogen molecular entity 24765
                          hydrides 22965
                            organic hydride 21924
                              organic fundamental parent 21924
                                hydrocarbon 21350
                                  halohydrocarbon 15904
                                    haloalkane 12781
                                      fluoroalkane 8651
                                        fluoromethanes 7203
                                          tetrafluoromethane 7203
                                            trifluoromethyl group 7206
                                              (trifluoromethyl)benzenes 7203
                                                isoxaflutole 0
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