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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:propiconazole
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Accession:CHEBI:8489 term browser browse the term
Definition:The cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds.
Synonyms:related_synonym: (+-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole;   Formula=C15H17Cl2N3O2;   InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3;   InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N;   SMILES=CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
 alt_id: CHEBI:658576
 xref: CAS:60207-90-1;   CAS:75881-82-2;   KEGG:C11121
 xref_mesh: MESH:C045950
 xref: MetaCyc:CPD-14540;   PMID:19128860;   PPDB:551;   Patent:DE2551560;   Patent:US4079062;   Pesticides:propiconazole;   Reaxys:841361;   Wikipedia:Propiconazole


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      CHEBI ontology 19921
        role 19896
          biological role 19894
            xenobiotic 18781
              propiconazole 2102
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      CHEBI ontology 19921
        subatomic particle 19919
          composite particle 19919
            hadron 19919
              baryon 19919
                nucleon 19919
                  atomic nucleus 19919
                    atom 19919
                      main group element atom 19867
                        p-block element atom 19867
                          carbon group element atom 19812
                            carbon atom 19807
                              organic molecular entity 19807
                                organic molecule 19764
                                  organic cyclic compound 19572
                                    organic heterocyclic compound 18905
                                      heteroarene 17155
                                        monocyclic heteroarene 14797
                                          azole 14287
                                            triazoles 8138
                                              triazole antifungal agent 5743
                                                triazole fungicide 5709
                                                  propiconazole 2102
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