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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:N-(4-nitrophenyl)-3-oxovalidamine
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Accession:CHEBI:15984 term browser browse the term
Definition:A triol that has formula C13H16N2O6.
Synonyms:exact_synonym: (2R,3R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohexanone
 related_synonym: 4-nitrophenyl-3-ketovalidamine;   Formula=C13H16N2O6;   InChI=1S/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1;   InChIKey=JYWZXKMMEIJNKK-IGCXTIMSSA-N;   N-(4-Nitrophenyl)-3-ketovalidamine;   SMILES=OC[C@H]1C[C@H](Nc2ccc(cc2)[N+]([O-])=O)[C@H](O)C(=O)[C@@H]1O;   p-Nitrophenyl-3-ketovalidamine
 alt_id: CHEBI:12036;   CHEBI:1916;   CHEBI:20459
 xref: KEGG:C03995

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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
                N-(4-nitrophenyl)-3-oxovalidamine 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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      oxyketone 0
                                        alpha-oxyketone 0
                                          alpha-hydroxy ketone 0
                                            secondary alpha-hydroxy ketone 0
                                              N-(4-nitrophenyl)-3-oxovalidamine 0
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