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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:(S)-diniconazole
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Accession:CHEBI:83906 term browser browse the term
Definition:A (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the (S)-enantiomer of diniconazole.
Synonyms:exact_synonym: (1E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
 related_synonym: (+)-diniconazole;   Formula=C15H17Cl2N3O;   InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m1/s1;   InChIKey=FBOUIAKEJMZPQG-YGLIYXGISA-N;   SMILES=CC(C)(C)[C@H](O)C(=C/c1ccc(Cl)cc1Cl)\\n1cncn1;   diniconazole (+)-form
 xref: CAS:83657-19-6;   PMID:24009183;   PMID:24211030;   PMID:30401538;   Reaxys:9634907
 cyclic_relationship: is_enantiomer_of CHEBI:83911

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          carbon atom 2
            organic molecular entity 2
              olefinic compound 0
                (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol 0
                  (S)-diniconazole 0
                    diniconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                carbocyclic compound 1
                                  benzenoid aromatic compound 1
                                    benzenes 1
                                      chlorobenzenes 0
                                        dichlorobenzene 0
                                          (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol 0
                                            (S)-diniconazole 0
                                              diniconazole 0
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