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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 1029
    chemical entity 1029
      group 997
        inorganic group 717
          nitro group 14
            nitro compound 14
              C-nitro compound 14
                Butralin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1029
    subatomic particle 1014
      composite particle 1014
        hadron 1014
          baryon 1014
            nucleon 1014
              atomic nucleus 1014
                atom 1014
                  main group element atom 963
                    p-block element atom 960
                      carbon group element atom 843
                        carbon atom 842
                          organic molecular entity 842
                            organic molecule 760
                              C-nitro compound 14
                                Butralin 0
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