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ONTOLOGY REPORT - ANNOTATIONS


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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  CHEBI ontology 21322
    role 21309
      biological role 21307
        aetiopathogenetic role 20208
          genotoxin 17469
            2,6-dinitrotoluene 2178
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  CHEBI ontology 21322
    subatomic particle 21318
      composite particle 21318
        hadron 21318
          baryon 21318
            nucleon 21318
              atomic nucleus 21318
                atom 21318
                  main group element atom 21193
                    p-block element atom 21193
                      carbon group element atom 20991
                        carbon atom 20881
                          organic molecular entity 20881
                            organic molecule 20763
                              organic cyclic compound 20250
                                carbocyclic compound 18471
                                  benzenoid aromatic compound 17771
                                    benzenes 17401
                                      toluenes 6237
                                        nitrotoluene 3841
                                          dinitrotoluene 3544
                                            2,6-dinitrotoluene 2178
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