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ONTOLOGY REPORT - ANNOTATIONS


Term:16beta-hydroxyestrone
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Accession:CHEBI:87628 term browser browse the term
Definition:A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 16.
Synonyms:exact_synonym: 3,16beta-dihydroxyestra-1,3,5(10)-trien-17-one
 related_synonym: (16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one;   16-Hydroxyestrone;   3,16-Dihydroxyestra-1,3,5(10)-trien-17-one;   3,16beta-dihydroxy-estra-1,3,5(10)-trien-17-one;   Formula=C18H22O3;   InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1;   InChIKey=WPOCIZJTELRQMF-LFRCEIEQSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2(C(=O)[C@H]1O)C)[H])[H])[H]
 xref: CAS:966-06-3 "HMDB";   HMDB:HMDB0000313;   LIPID_MAPS_instance:LMST02010046 "LIPID MAPS";   PMID:12865317 "SUBMITTER";   Reaxys:3214336 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      application 19308
        pharmaceutical 19179
          drug 19179
            antineoplastic agent 16732
              estrone 124
                16beta-hydroxyestrone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      ketone 15909
                                        oxyketone 8447
                                          alpha-oxyketone 8447
                                            alpha-hydroxy ketone 8447
                                              secondary alpha-hydroxy ketone 594
                                                16beta-hydroxyestrone 0
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