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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 1203
    role 1146
      application 804
        pesticide 146
          fungicide 24
            4,6-dinitro-o-cresol 0
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  CHEBI ontology 1203
    subatomic particle 1190
      composite particle 1190
        hadron 1190
          baryon 1190
            nucleon 1190
              atomic nucleus 1190
                atom 1190
                  main group element atom 1141
                    p-block element atom 1138
                      carbon group element atom 1024
                        carbon atom 1023
                          organic molecular entity 1023
                            organic molecule 943
                              organic cyclic compound 852
                                carbocyclic compound 186
                                  benzenoid aromatic compound 167
                                    benzenes 159
                                      toluenes 69
                                        hydroxytoluene 0
                                          cresol 0
                                            o-cresol 0
                                              4,6-dinitro-o-cresol 0
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