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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:16alpha,17alpha-dihydroxyprogesterone acetophenide
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Accession:CHEBI:34168 term browser browse the term
Definition:A 20-oxo steroid that is the cyclic ketal resulting from the formal condensation of the hydroxy groups of algestone with acetophenone.
Synonyms:exact_synonym: 16alpha,17-(1-phenylethane-1,1-diyldioxy)pregn-4-ene-3,20-dione
 related_synonym: 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-BXXPAUNWSA-N;   SMILES=[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(O[C@@]12C(C)=O)c1ccccc1
 xref: CAS:1179-87-9;   KEGG:C14674;   Reaxys:15468901


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    chemical entity 19810
      group 19722
        organic group 18527
          3-oxo-Delta(4)-steroid group 7938
            3-oxo-Delta(4) steroid 7938
              16alpha,17alpha-dihydroxyprogesterone acetophenide 0
                algestone acetophenide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      ketone 16171
                                        oxyketone 8634
                                          alpha-oxyketone 8634
                                            alpha-hydroxy ketone 8634
                                              tertiary alpha-hydroxy ketone 8359
                                                algestone 0
                                                  16alpha,17alpha-dihydroxyprogesterone acetophenide 0
                                                    algestone acetophenide 0
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