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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:Benfuresate
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Accession:CHEBI:81756 term browser browse the term
Definition:A benzofuran that has formula C12H16O4S.
Synonyms:related_synonym: Formula=C12H16O4S;   InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3;   InChIKey=QGQSRQPXXMTJCM-UHFFFAOYSA-N;   SMILES=CCS(=O)(=O)Oc1ccc2OCC(C)(C)c2c1
 xref: CAS:68505-69-1;   KEGG:C18452
 xref_mesh: MESH:C480688
 xref: PPDB:64


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Benfuresate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO benfuresate binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 NCBI chr11:62,460,213...62,496,665 JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      atom 19897
        nonmetal atom 19820
          oxygen atom 19560
            oxygen molecular entity 19560
              organooxygen compound 19215
                oxacycle 17926
                  benzofurans 3334
                    Benfuresate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    main group molecular entity 19836
                      p-block molecular entity 19836
                        carbon group molecular entity 19776
                          organic molecular entity 19772
                            organic molecule 19725
                              organic cyclic compound 19517
                                organic heterocyclic compound 18894
                                  organic heteropolycyclic compound 18322
                                    benzofurans 3334
                                      Benfuresate 1
paths to the root