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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:6beta-hydroxyestrone
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Accession:CHEBI:87626 term browser browse the term
Definition:A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 6.
Synonyms:related_synonym: (6beta)-3,6-dihydroxyestra-1,3,5(10)-trien-17-one;   3,6beta-dihydroxy-estra-1,3,5(10)-trien-17-one;   Formula=C18H22O3;   InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12-,13-,15+,16-,18+/m1/s1;   InChIKey=HTORTGVWUGQTHQ-UHOVARLQSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)[C@@H](C3)O)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
 xref: PMID:12865317;   PMID:1606050;   PMID:9192820;   Reaxys:6904811


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Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            antineoplastic agent 17823
              estrone 128
                6beta-hydroxyestrone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                organic polycyclic compound 17291
                                  steroid 14716
                                    hydroxy steroid 14466
                                      3-hydroxy steroid 12807
                                        phenolic steroid 11312
                                          estrone 128
                                            6beta-hydroxyestrone 0
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