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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:estra-1(10),4-diene-2,3,17-trione
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Accession:CHEBI:87262 term browser browse the term
Definition:An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 2-hydroxyestrone.
Synonyms:related_synonym: 2,3-estrogen o-quinone;   2,3-estrone o-quinone;   2,3-estrone ortho-quinone;   Formula=C18H20O3;   InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1;   InChIKey=WFPLOQDPWXNOST-JPVZDGGYSA-N;   SMILES=C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(=O)C=C34)[C@@H]1CCC2=O;   estrone-2,3-quinone
 xref: CAS:40551-33-5;   HMDB:HMDB0012941;   PMID:12018999;   PMID:8738834;   PMID:8828920;   Reaxys:7538862


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      group 19698
        organic group 18495
          3-oxo-Delta(4)-steroid group 7935
            3-oxo-Delta(4) steroid 7935
              estra-1(10),4-diene-2,3,17-trione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      ketone 16144
                                        oxo steroid 9276
                                          17-oxo steroid 257
                                            estrone 125
                                              2-hydroxyestrone 9
                                                estra-1(10),4-diene-2,3,17-trione 0
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