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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
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Accession:CHEBI:763 term browser browse the term
Definition:A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17.
Synonyms:exact_synonym: 16alpha,17-dihydroxypregn-4-ene-3,20-dione
 related_synonym: 16alpha,17alpha-dihydroxyprogesterone;   Alphasone;   Formula=C21H30O4;   InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1;   InChIKey=CXDWHYOBSJTRJU-SRWWVFQWSA-N;   SMILES=[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@@H](O)[C@]1(O)C(C)=O;   algestona;   algestonum
 xref: Beilstein:3165175;   CAS:595-77-7;   KEGG:C06391;   PMID:3139577;   Reaxys:3165175;   Wikipedia:Algestone


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    chemical entity 22208
      group 22072
        organic group 20291
          3-oxo-Delta(4)-steroid group 9226
            3-oxo-Delta(4) steroid 9226
              algestone 0
                16alpha,17alpha-dihydroxyprogesterone acetophenide + 0
                algestone acetonide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            heteroorganic entity 21482
                              organochalcogen compound 20966
                                organooxygen compound 20806
                                  carbonyl compound 20172
                                    ketone 17949
                                      oxyketone 9043
                                        alpha-oxyketone 9034
                                          alpha-hydroxy ketone 9034
                                            tertiary alpha-hydroxy ketone 8737
                                              algestone 0
                                                16alpha,17alpha-dihydroxyprogesterone acetophenide + 0
                                                algestone acetonide 0
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