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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:6alpha-fluoro-17-hydroxycorticosterone 21-acetate
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Accession:CHEBI:79758 term browser browse the term
Definition:A steroid ester that is pregn-4-en-21-yl acetate substituted by oxo groups at positions 3 and 20, hydroxy groups at positions 11 and 17 and a fluoro group at position 6.
Synonyms:exact_synonym: 6alpha-fluoro-11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
 related_synonym: 6alpha-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate;   Formula=C23H31FO6;   InChI=1S/C23H31FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1;   InChIKey=IXQXTLBVUAXXNT-APRQOCPKSA-N;   SMILES=CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
 xref: CAS:1058-55-5;   KEGG:C15256;   Reaxys:3227510


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    chemical entity 19878
      group 19831
        organic group 18983
          3-oxo-Delta(4)-steroid group 9164
            3-oxo-Delta(4) steroid 9164
              6alpha-fluoro-17-hydroxycorticosterone 21-acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      monocarboxylic acid 18004
                                        acetic acid 11085
                                          acetate ester 4056
                                            6alpha-fluoro-17-hydroxycorticosterone 21-acetate 0
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