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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: CAS:606-20-2;   KEGG:C11008
 xref_mesh: MESH:C023514
 xref: MetaCyc:CPD-9133;   PMID:22155124;   Reaxys:2052046


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    Path 1
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      CHEBI ontology 19874
        role 19844
          biological role 19842
            aetiopathogenetic role 19217
              genotoxin 17667
                2,6-dinitrotoluene 2199
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      CHEBI ontology 19874
        subatomic particle 19872
          composite particle 19872
            hadron 19872
              baryon 19872
                nucleon 19872
                  atomic nucleus 19872
                    atom 19872
                      main group element atom 19811
                        p-block element atom 19811
                          carbon group element atom 19751
                            carbon atom 19748
                              organic molecular entity 19748
                                organic molecule 19700
                                  organic cyclic compound 19490
                                    carbocyclic compound 18579
                                      benzenoid aromatic compound 18003
                                        benzenes 17868
                                          toluenes 7248
                                            nitrotoluene 3861
                                              dinitrotoluene 3561
                                                2,6-dinitrotoluene 2199
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