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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 19918
        role 19894
          biological role 19892
            xenobiotic 18778
              propiconazole 2101
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      CHEBI ontology 19918
        subatomic particle 19916
          composite particle 19916
            hadron 19916
              baryon 19916
                nucleon 19916
                  atomic nucleus 19916
                    atom 19916
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19811
                            carbon atom 19806
                              organic molecular entity 19806
                                organic molecule 19758
                                  organic cyclic compound 19565
                                    organic heterocyclic compound 18906
                                      heteroarene 17172
                                        monocyclic heteroarene 14893
                                          azole 14396
                                            triazoles 8149
                                              triazole antifungal agent 5747
                                                triazole fungicide 5712
                                                  propiconazole 2101
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