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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:butoconazole(1+)
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Accession:CHEBI:61263 term browser browse the term
Definition:The cation resulting from the protonation of the imidazole group of butaconazole.
Synonyms:related_synonym: Formula=C19H18Cl3N2S;   InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2/p+1;   InChIKey=SWLMUYACZKCSHZ-UHFFFAOYSA-O;   SMILES=[H+].Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1;   butoconazole cation
 cyclic_relationship: is_conjugate_acid_of CHEBI:3240



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  CHEBI ontology 20072
    chemical entity 20071
      molecular entity 20071
        ion 16485
          cation 16278
            butoconazole(1+) 0
              butoconazole nitrate + 0
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