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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-(4-chloroanilino)-1-methyl-3-nitro-2-quinolinone
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Accession:CHEBI:94172 term browser browse the term
Definition:A nitro compound that has formula C16H12ClN3O3.
Synonyms:related_synonym: Formula=C16H12ClN3O3;   InChI=1S/C16H12ClN3O3/c1-19-13-5-3-2-4-12(13)14(15(16(19)21)20(22)23)18-11-8-6-10(17)7-9-11/h2-9,18H,1H3;   InChIKey=UOTFDQYQLUZBMD-UHFFFAOYSA-N;   SMILES=CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NC3=CC=C(C=C3)Cl
 xref: LINCS:LSM-4792


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Term Annotations click to browse term
  CHEBI ontology 497
    chemical entity 497
      group 491
        inorganic group 438
          nitro group 5
            nitro compound 5
              4-(4-chloroanilino)-1-methyl-3-nitro-2-quinolinone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 497
    subatomic particle 497
      composite particle 497
        hadron 497
          baryon 497
            nucleon 497
              atomic nucleus 497
                atom 497
                  main group element atom 490
                    p-block element atom 490
                      carbon group element atom 479
                        carbon atom 478
                          organic molecular entity 478
                            organic molecule 467
                              organic cyclic compound 450
                                organic heterocyclic compound 412
                                  organonitrogen heterocyclic compound 369
                                    quinolines 4
                                      4-(4-chloroanilino)-1-methyl-3-nitro-2-quinolinone 0
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