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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:algestone acetophenide
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Accession:CHEBI:49327 term browser browse the term
Definition:A 16alpha,17alpha-dihydroxyprogesterone acetophenide that has formula 448.59374.
Synonyms:exact_synonym: 16alpha,17-[(1R)-1-phenylethane-1,1-diyldioxy]pregn-4-ene-3,20-dione
 related_synonym: Alphasone acetophenide;   Deladroxone;   Formula=C29H36O4;   InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1;   InChIKey=AHBKIEXBQNRDNL-FVCOMRFXSA-N;   SMILES=[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2O[C@](C)(O[C@@]12C(C)=O)c1ccccc1
 alt_id: CHEBI:49321
 xref: CAS:24356-94-3;   Drug_Central:797;   KEGG:D02809


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        anti-inflammatory agent 16605
          anti-inflammatory drug 14947
            algestone acetophenide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbonyl compound 18874
                                    ketone 17181
                                      oxyketone 8903
                                        alpha-oxyketone 8903
                                          alpha-hydroxy ketone 8903
                                            tertiary alpha-hydroxy ketone 8610
                                              algestone 0
                                                16alpha,17alpha-dihydroxyprogesterone acetophenide 0
                                                  algestone acetophenide 0
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