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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:(R)-isoconazole nitrate
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Accession:CHEBI:83669 term browser browse the term
Definition:An organic nitrate salt obtained by reaction of equimolar amounts of (R)-isoconazole and nitric acid.
Synonyms:exact_synonym: 1-[(2R)-2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate
 related_synonym: Formula=C18H15Cl4N3O4;   InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)/t18-;/m0./s1;   InChIKey=NNGQLSIGRSTLLU-FERBBOLQSA-N;   SMILES=O[N+]([O-])=O.Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
 cyclic_relationship: is_enantiomer_of CHEBI:83671


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      molecular entity 19809
        ion 16709
          organic ion 9854
            organic cation 8915
              (R)-isoconazole(1+) 0
                (R)-isoconazole nitrate 0
                  isoconazole nitrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            oxide 12744
                              oxoanion 10292
                                pnictogen oxoanion 6197
                                  nitrogen oxoanion 359
                                    nitrate 345
                                      nitrate salt 345
                                        organic nitrate salt 0
                                          (R)-isoconazole nitrate 0
                                            isoconazole nitrate 0
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