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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:quinestrol
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Accession:CHEBI:8716 term browser browse the term
Definition:A 17-hydroxy steroid that has formula C25H32O2.
Synonyms:exact_synonym: 3-(cyclopentyloxy)-17beta-ethynylestra-1,3,5(10)-trien-17-ol
 related_synonym: 17-alpha-Ethinylestradiol 3-cyclopentyl ether;   17alpha-Ethynylestradiol 3-cyclopentyl ether;   Estradiol-17-beta 3-cyclopentyl ether;   Formula=C25H32O2;   InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1;   InChIKey=PWZUUYSISTUNDW-VAFBSOEGSA-N;   Quilea;   SMILES=[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC3CCCC3)ccc21;   quinestrolum
 xref: Beilstein:3038592;   CAS:152-43-2;   DrugBank:DB04575;   Drug_Central:2342;   HMDB:HMDB0015579;   KEGG:C07619;   KEGG:D00576;   LIPID_MAPS_instance:LMST02010037;   Patent:US3159543;   Patent:US3231567;   Wikipedia:Quinestrol


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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      application 19714
        pharmaceutical 19550
          drug 19550
            protective agent 18259
              geroprotector 17401
                17beta-estradiol 11317
                  quinestrol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic polycyclic compound 17303
                                  steroid 14730
                                    hydroxy steroid 14478
                                      3-hydroxy steroid 12819
                                        phenolic steroid 11321
                                          estradiol 11317
                                            17beta-estradiol 11317
                                              quinestrol 0
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