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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:2,6-dinitrotoluene
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Accession:CHEBI:957 term browser browse the term
Definition:A dinitrotoluene carrying nitro substituents at positions 2 and 6.
Synonyms:exact_synonym: 2-methyl-1,3-dinitrobenzene
 related_synonym: 1-methyl-2,6-dinitrobenzene;   2,6-DNT;   2,6-dinitromethylbenzene;   Formula=C7H6N2O4;   InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3;   InChIKey=XTRDKALNCIHHNI-UHFFFAOYSA-N;   SMILES=Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O
 xref: Beilstein:2052046;   CAS:606-20-2;   KEGG:C11008
 xref_mesh: MESH:C023514
 xref: MetaCyc:CPD-9133;   PMID:22155124;   Reaxys:2052046


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          genotoxin 0
            2,6-dinitrotoluene 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
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      toluenes 0
                                        nitrotoluene 0
                                          dinitrotoluene 0
                                            2,6-dinitrotoluene 0
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