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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
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      CHEBI ontology 19811
        role 19818
          biological role 19785
            aetiopathogenetic role 19163
              genotoxin 17675
                2,6-dinitrotoluene 2199
    Path 2
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      CHEBI ontology 19811
        subatomic particle 19809
          composite particle 19809
            hadron 19840
              baryon 19809
                nucleon 19809
                  atomic nucleus 19809
                    atom 19809
                      main group element atom 19759
                        p-block element atom 19759
                          carbon group element atom 19708
                            carbon atom 19734
                              organic molecular entity 19705
                                organic molecule 19658
                                  organic cyclic compound 19471
                                    carbocyclic compound 18563
                                      benzenoid aromatic compound 17970
                                        benzenes 17830
                                          toluenes 7233
                                            nitrotoluene 3862
                                              dinitrotoluene 3571
                                                2,6-dinitrotoluene 2199
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