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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:dicoumarol
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Accession:CHEBI:4513 term browser browse the term
Definition:A hydroxycoumarin that is methane in which two hydrogens have each been substituted by a 4-hydroxycoumarin-3-yl group. Related to warfarin, it has been used as an anticoagulant.
Synonyms:exact_synonym: 3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one)
 related_synonym: 3,3'-methylen-bis(4-hydroxy-cumarin);   3,3'-methylene-bis(4-hydroxycoumarine);   3,3'-methylenebis(4-hydroxy-1,2-benzopyrone);   3,3'-methylenebis(4-hydroxy-2H-1-benzopyran-2-one);   3,3'-methylenebis(4-hydroxycoumarin);   Formula=C19H12O6;   InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2;   InChIKey=DOBMPNYZJYQDGZ-UHFFFAOYSA-N;   SMILES=Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12;   bis(4-hydroxycoumarin-3-yl)methane;   bis-3,3'-(4-hydroxycoumarinyl)methane;   bis-hydroxycoumarin;   di-(4-hydroxy-3-coumarinyl)methane;   dicoumarolum;   dicumarol
 alt_id: CHEBI:469386
 xref: Beilstein:335444;   CAS:66-76-2;   DrugBank:DB00266;   Drug_Central:867;   KEGG:C00796;   KEGG:D03798;   KNApSAcK:C00002467;   LINCS:LSM-5884
 xref_mesh: MESH:D001728
 xref: PMID:15639223;   PMID:16700548;   PMID:18347135;   PMID:19583730;   PMID:20480521;   PMID:28166217;   PMID:6033758;   Wikipedia:Dicumarol

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  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          antagonist 0
            vitamin K antagonist 0
              dicoumarol 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
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromenone 0
                                            coumarins 0
                                              hydroxycoumarin 0
                                                dicoumarol 0
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