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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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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        organic group 0
          3-oxo-Delta(4)-steroid group 0
            3-oxo-Delta(4) steroid 0
              estra-1(10),4-diene-2,3,17-trione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      3-hydroxy steroid 0
                                        phenolic steroid 0
                                          estrone 0
                                            2-hydroxyestrone 0
                                              estra-1(10),4-diene-2,3,17-trione 0
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