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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:9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
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Accession:CHEBI:79773 term browser browse the term
Definition:A fluorinated steroid that is pregn-4-ene substituted by a fluoro group at position 2, a methyl group at position 2 and oxo groups at positions 3, 11 and 20.
Synonyms:related_synonym: 9-Fluoro-2alpha-methyl-11-oxoprogesterone;   Formula=C22H29FO3;   InChI=1S/C22H29FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1;   InChIKey=CCIHHCZWSDAQGO-ROXMKHFISA-N;   SMILES=C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]23F)=CC1=O
 xref: CAS:1582-62-3;   KEGG:C15271;   Reaxys:8361042


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Term Annotations click to browse term
  CHEBI ontology 19917
    chemical entity 19915
      group 19869
        organic group 19015
          3-oxo-Delta(4)-steroid group 9169
            3-oxo-Delta(4) steroid 9169
              9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      carbon group element atom 19774
                        carbon atom 19790
                          organic molecular entity 19790
                            heteroorganic entity 19549
                              organochalcogen compound 19309
                                organooxygen compound 19204
                                  carbonyl compound 18945
                                    ketone 17276
                                      oxo steroid 10541
                                        3-oxo steroid 9930
                                          3-oxo-Delta(4) steroid 9169
                                            progesterone 2727
                                              9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione 0
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