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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 22298
        chemical entity 22279
          molecular entity 22274
            polyatomic entity 22126
              molecule 21740
                organic molecule 21740
                  C-nitro compound 10955
                    nitrotoluene 3839
                      dinitrotoluene 3543
                        2,4-dinitrotoluene 2569
    Path 2
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      CHEBI ontology 22298
        subatomic particle 22274
          composite particle 22292
            hadron 22292
              baryon 22292
                nucleon 22274
                  atomic nucleus 22292
                    atom 22292
                      main group element atom 22153
                        p-block element atom 22153
                          carbon group element atom 21956
                            carbon atom 21896
                              organic molecular entity 21896
                                organic molecule 21740
                                  organic cyclic compound 21338
                                    carbocyclic compound 19769
                                      benzenoid aromatic compound 18939
                                        benzenes 18778
                                          toluenes 7301
                                            nitrotoluene 3839
                                              dinitrotoluene 3543
                                                2,4-dinitrotoluene 2569
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