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3alpha-Hydroxytibolone - 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:3alpha-Hydroxytibolone
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Accession:CHEBI:230833 term browser browse the term
Synonyms:exact_synonym: (3R,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
 related_synonym: Formula=C21H30O2;   InChI=1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1;   InChIKey=YLEUWNOTNJZCBN-CZTKNSHGSA-N;   SMILES=O[C@@]1([C@@]2([C@H]([C@H]3[C@H](CC2)C4=C(C[C@H]3C)C[C@H](O)CC4)CC1)C)C#C
 xref: Chemspider:8262558


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  CHEBI ontology 20845
    chemical entity 20843
      molecular entity 20842
        polyatomic entity 20786
          heteroatomic molecular entity 20723
            hydroxides 20216
              organic hydroxy compound 19754
                hydroxy steroid 15113
                  17-hydroxy steroid 14837
                    3alpha-Hydroxytibolone 0
Path 2
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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
                                      17-hydroxy steroid 14837
                                        3alpha-Hydroxytibolone 0
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