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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
 xref: CAS:534-52-1;   PPDB:261;   Reaxys:2054389;   kegg.compound:C18653;   pubmed:11775154;   pubmed:1960763
 chemrof_formula: C7H6N2O5
 chemrof_smiles: Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
 chemrof_inchi: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
 chemrof_inchikey: ZXVONLUNISGICL-UHFFFAOYSA-N
 cyclic_relationship: has_functional_parent CHEBI:28054;   has_functional_parent CHEBI:42017


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Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      application 20572
        pesticide 18454
          fungicide 13594
            4,6-dinitro-o-cresol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                carbocyclic compound 18739
                                  benzenoid aromatic compound 17899
                                    benzenes 17656
                                      toluenes 4984
                                        hydroxytoluene 72
                                          4,6-dinitro-o-cresol 0
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