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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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Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      group 19788
        inorganic group 19381
          oxo group 18874
            organic oxo compound 18874
              carbonyl compound 18874
                1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                carbocyclic compound 18582
                                  carbopolycyclic compound 17180
                                    carbobicyclic compound 5883
                                      naphthalenes 3848
                                        1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester 0
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