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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-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone
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Accession:CHEBI:105146 term browser browse the term
Definition:A C-nitro compound that has formula C15H18N4O3.
Synonyms:related_synonym: Formula=C15H18N4O3;   InChI=1S/C15H18N4O3/c1-4-5-14-13(10-17(2)3)15(20)18(16-14)11-6-8-12(9-7-11)19(21)22/h6-10H,4-5H2,1-3H3;   InChIKey=AEEVGUCYDLTPHK-UHFFFAOYSA-N;   SMILES=CCCC1=NN(C(=O)C1=CN(C)C)C2=CC=C(C=C2)[N+](=O)[O-]
 xref: LINCS:LSM-16509


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Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19806
      group 19765
        inorganic group 19360
          nitro group 11115
            nitro compound 11115
              C-nitro compound 10841
                4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              C-nitro compound 10841
                                4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone 0
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