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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:acenocoumarol
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Accession:CHEBI:53766 term browser browse the term
Definition:A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.
Synonyms:related_synonym: 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin;   3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin;   3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin;   3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin;   3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin;   4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one;   4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one;   Acenocoumarin;   Acenocumarolo;   Acenokumarin;   Formula=C19H15NO6;   InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3;   InChIKey=VABCILAOYCMVPS-UHFFFAOYSA-N;   Nicoumalone;   Nicumalon;   Nitrophenylacetylethyl-4-hydroxycoumarine;   Nitrovarfarian;   Nitrowarfarin;   SMILES=CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O;   acenocoumarolum;   acenocumarol
 alt_id: CHEBI:494206
 xref: Beilstein:1269370;   CAS:152-72-7;   DrugBank:DB01418;   KEGG:D07064;   LINCS:LSM-5112
 xref_mesh: MESH:D000074
 xref: PMID:17275317;   Patent:US2648682;   Reaxys:1269370

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                acenocoumarol 0
                  (R)-acenocoumarol 0
                  (S)-acenocoumarol 0
Path 2
Term Annotations click to browse term
  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
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromenone 0
                                            coumarins 0
                                              hydroxycoumarin 0
                                                acenocoumarol 0
                                                  (R)-acenocoumarol 0
                                                  (S)-acenocoumarol 0
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