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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 19898
        role 19868
          biological role 19866
            xenobiotic 18753
              propiconazole 2110
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      CHEBI ontology 19898
        subatomic particle 19896
          composite particle 19896
            hadron 19896
              baryon 19896
                nucleon 19896
                  atomic nucleus 19896
                    atom 19896
                      main group element atom 19835
                        p-block element atom 19835
                          carbon group element atom 19774
                            carbon atom 19771
                              organic molecular entity 19771
                                organic molecule 19724
                                  organic cyclic compound 19515
                                    organic heterocyclic compound 18890
                                      heteroarene 17169
                                        monocyclic heteroarene 14995
                                          azole 14515
                                            triazoles 8436
                                              triazole antifungal agent 5758
                                                triazole fungicide 5723
                                                  propiconazole 2110
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