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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-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester
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Accession:CHEBI:113045 term browser browse the term
Definition:A nitrobenzoic acid that has formula C18H12Cl2N2O5.
Synonyms:related_synonym: Formula=C18H12Cl2N2O5;   InChI=1S/C18H12Cl2N2O5/c1-10-13(17(21-27-10)16-14(19)3-2-4-15(16)20)9-26-18(23)11-5-7-12(8-6-11)22(24)25/h2-8H,9H2,1H3;   InChIKey=JJGMDNJHMGALRK-UHFFFAOYSA-N;   SMILES=CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
 xref: LINCS:LSM-24455


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      group 5032
        inorganic group 4843
          nitro group 14
            nitro compound 14
              C-nitro compound 14
                nitrobenzoic acid 0
                  4-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      aromatic carboxylic acid 136
                                        benzoic acids 138
                                          nitrobenzoic acid 0
                                            4-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester 0
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