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ONTOLOGY REPORT - ANNOTATIONS


Term:9-fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
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Accession:CHEBI:79771 term browser browse the term
Definition:A steroid ester that is pregn-4-en-21-yl acetate substituted by a fluoro group at position 9, hydroxy groups at positions 11 and 17 and oxo groups at positions 3 and 20 respectively.
Synonyms:exact_synonym: 9-fluoro-11beta,17-dihydroxy-2alpha-methyl-3,20-dioxopregn-4-en-21-yl acetate
 related_synonym: 9-fluoro-17-hydroxy-2alpha-methylcorticosterone 21-acetate;   Formula=C24H33FO6;   InChI=1S/C24H33FO6/c1-13-10-21(3)15(9-18(13)27)5-6-17-16-7-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(17,21)25/h9,13,16-17,19,28,30H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21+,22+,23+,24+/m1/s1;   InChIKey=OGDQCSZNJSAJKD-IJUIUGIXSA-N;   SMILES=C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(C)=O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O
 xref: CAS:1524-87-4;   KEGG:C15269;   Reaxys:3182026


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Term Annotations click to browse term
  CHEBI ontology 19758
    chemical entity 19757
      group 19667
        organic group 18428
          3-oxo-Delta(4)-steroid group 7942
            3-oxo-Delta(4) steroid 7942
              9-fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate 0
Path 2
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  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    p-block element atom 19641
                      carbon group element atom 19532
                        carbon atom 19521
                          organic molecular entity 19521
                            organic group 18428
                              organic divalent group 18419
                                organodiyl group 18419
                                  carbonyl group 18309
                                    carbonyl compound 18309
                                      ketone 15948
                                        oxyketone 8487
                                          alpha-oxyketone 8487
                                            alpha-hydroxy ketone 8487
                                              tertiary alpha-hydroxy ketone 8274
                                                9-fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate 0
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