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ONTOLOGY REPORT - ANNOTATIONS


Term:pinoxaden
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Accession:CHEBI:83524 term browser browse the term
Definition:A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops.
Synonyms:exact_synonym: 8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate
 related_synonym: 8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropionate;   Formula=C23H32N2O4;   InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3;   InChIKey=MGOHCFMYLBAPRN-UHFFFAOYSA-N;   SMILES=CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=O
 xref: CAS:243973-20-8 "ChemIDplus";   PMID:24485310 "Europe PMC";   PMID:24759052 "Europe PMC";   PMID:26449612 "Europe PMC";   PPDB:528;   Pesticides:pinoxaden "Alan Wood's Pesticides";   Reaxys:11330254 "Reaxys"


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  CHEBI ontology 19716
    role 19663
      application 19308
        agrochemical 13467
          pinoxaden 0
Path 2
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      carboxylic acid 17940
                                        monocarboxylic acid 17260
                                          fatty acid 15814
                                            saturated fatty acid 15781
                                              branched-chain saturated fatty acid 14741
                                                pivalic acid 1
                                                  pivalate ester 1
                                                    pinoxaden 0
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