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ONTOLOGY REPORT - ANNOTATIONS


Term:estropipate
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Accession:CHEBI:4873 term browser browse the term
Synonyms:related_synonym: Formula=C18H22O5S.C4H10N2;   Formula=C22H32N2O5S;   InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1;   InChIKey=HZEQBCVBILBTEP-ZFINNJDLSA-N;   Piperazine estrone sulfate;   SMILES=[C@@]12([C@@](C3=C(C=C(OS(=O)(=O)O)C=C3)CC1)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H].C1CNCCN1
 xref: CAS:7280-37-7;   KEGG:D00948
 xref_mesh: MESH:C009927


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19779
    role 19727
      application 19373
        pharmaceutical 19243
          drug 19243
            antineoplastic agent 16922
              estrone 125
                estropipate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      chalcogen 19366
                        oxygen atom 19327
                          oxygen molecular entity 19327
                            hydroxides 19071
                              oxoacid 18165
                                chalcogen oxoacid 11482
                                  sulfur oxoacid 11082
                                    sulfuric acid 8014
                                      sulfuric acid derivative 8014
                                        sulfates 8011
                                          organic sulfate 1935
                                            steroid sulfate 62
                                              estropipate 0
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