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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:1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester
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Accession:CHEBI:107308 term browser browse the term
Definition:A carbonyl compound that has formula C23H17BrN2O3.
Synonyms:related_synonym: Formula=C23H17BrN2O3;   InChI=1S/C23H17BrN2O3/c1-2-29-23(28)21-20(14-26(25-21)17-12-10-16(24)11-13-17)22(27)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,2H2,1H3;   InChIKey=ZGEFYVLRNRIVJL-UHFFFAOYSA-N;   SMILES=CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Br
 xref: LINCS:LSM-18662

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  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          oxo group 0
            organic oxo compound 0
              carbonyl compound 0
                1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester 0
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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
                                  carbopolycyclic compound 0
                                    carbobicyclic compound 0
                                      naphthalenes 0
                                        1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester 0
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