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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:2,4-dinitrotoluene
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Accession:CHEBI:920 term browser browse the term
Definition:A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.
Synonyms:exact_synonym: 1-methyl-2,4-dinitrobenzene
 related_synonym: 2,4-DNT;   2,4-dinitro-1-methylbenzene;   2,4-dinitromethylbenzene;   2,4-dinitrotoluol;   DNT;   Formula=C7H6N2O4;   InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3;   InChIKey=RMBFBMJGBANMMK-UHFFFAOYSA-N;   SMILES=Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
 xref: CAS:121-14-2;   KEGG:C11006
 xref_mesh: MESH:C016403
 xref: PMID:24467368;   PMID:24893713;   Reaxys:1912834;   Wikipedia:2\,4-Dinitrotoluene


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19811
        chemical entity 19840
          molecular entity 19809
            polyatomic entity 19767
              molecule 19702
                organic molecule 19658
                  C-nitro compound 10843
                    nitrotoluene 3862
                      dinitrotoluene 3571
                        2,4-dinitrotoluene 2578
    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
                                                2,4-dinitrotoluene 2578
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