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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:Butralin
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Accession:CHEBI:81847 term browser browse the term
Definition:A C-nitro compound that has formula C14H21N3O4.
Synonyms:related_synonym: Formula=C14H21N3O4;   InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3;   InChIKey=SPNQRCTZKIBOAX-UHFFFAOYSA-N;   SMILES=CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O
 xref: CAS:33629-47-9;   KEGG:C18582
 xref_mesh: MESH:C006852
 xref: PPDB:104


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  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                Butralin 0
Path 2
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  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
                            organic molecule 0
                              C-nitro compound 0
                                Butralin 0
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