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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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  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone 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
                              C-nitro compound 0
                                4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone 0
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