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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:Mercapturic conjugation of Boscalid
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Accession:CHEBI:143796 term browser browse the term
Synonyms:related_synonym: Formula=C23H19Cl2N3O4S;   InChI=1S/C23H19Cl2N3O4S/c1-13(29)27-20(23(31)32)12-33-16-8-9-19(18(11-16)14-4-6-15(24)7-5-14)28-22(30)17-3-2-10-26-21(17)25/h2-11,20H,12H2,1H3,(H,27,29)(H,28,30)(H,31,32);   InChIKey=OPTGHDGSLDKIHX-UHFFFAOYSA-N;   SMILES=C=1(C(=NC=CC1)Cl)C(NC=2C(=CC(=CC2)SCC(NC(=O)C)C(=O)O)C3=CC=C(C=C3)Cl)=O



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          boscalid 0
            Mercapturic conjugation of Boscalid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              pyridinecarboxamide 0
                                                boscalid 0
                                                  Mercapturic conjugation of Boscalid 0
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