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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 0
    role 0
      application 0
        pesticide 0
          fungicide 0
            4,6-dinitro-o-cresol 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      toluenes 0
                                        hydroxytoluene 0
                                          cresol 0
                                            o-cresol 0
                                              4,6-dinitro-o-cresol 0
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