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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 19811
    chemical entity 19840
      group 19768
        organic group 18926
          3-oxo-Delta(4)-steroid group 9157
            3-oxo-Delta(4) steroid 9157
              estra-1(10),4-diene-2,3,17-trione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic polycyclic compound 17244
                                  steroid 14672
                                    hydroxy steroid 14419
                                      3-hydroxy steroid 12757
                                        phenolic steroid 11251
                                          estrone 127
                                            2-hydroxyestrone 8
                                              estra-1(10),4-diene-2,3,17-trione 0
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