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quinestrol - Ontology Report - Rat Genome Database

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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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  CHEBI ontology 20845
    role 20805
      application 20606
        pharmaceutical 20401
          drug 20401
            protective agent 18618
              geroprotector 17730
                17beta-estradiol 12608
                  quinestrol 0
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  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            organic molecule 20637
                              organic cyclic compound 20387
                                organic polycyclic compound 17540
                                  steroid 15292
                                    hydroxy steroid 15113
                                      3-hydroxy steroid 13783
                                        phenolic steroid 12612
                                          estradiol 12608
                                            17beta-estradiol 12608
                                              quinestrol 0
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