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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:4,6-dinitro-o-cresol
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Accession:CHEBI:39349 term browser browse the term
Definition:A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.
Synonyms:related_synonym: 2,4-Dinitro-6-methylphenol;   3,5-dinitro-2-hydroxytoluene;   6-methyl-2,4-dinitrophenol;   Antinonnin;   DNOC;   Formula=C7H6N2O5;   InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3;   InChIKey=ZXVONLUNISGICL-UHFFFAOYSA-N;   SMILES=Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
 xref: Beilstein:2054389;   CAS:534-52-1;   KEGG:C18653;   PMID:11775154;   PMID:1960763;   PPDB:261;   Reaxys:2054389



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  CHEBI ontology 20050
    role 20001
      application 19737
        pesticide 17231
          fungicide 11215
            4,6-dinitro-o-cresol 0
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  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                carbocyclic compound 18516
                                  benzenoid aromatic compound 17764
                                    benzenes 17567
                                      toluenes 6312
                                        hydroxytoluene 129
                                          cresol 123
                                            o-cresol 13
                                              4,6-dinitro-o-cresol 0
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