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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:3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
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Accession:CHEBI:79541 term browser browse the term
Definition:A 3-hydroxy steroid that has formula C18H21NO4.
Synonyms:related_synonym: 2-Nitroestrone;   Formula=C18H21NO4;   InChI=1S/C18H21NO4/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19(22)23)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1;   InChIKey=CXYPVKBFRMXQDI-JPVZDGGYSA-N;   SMILES=C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)[N+]([O-])=O)[C@@H]1CCC2=O
 xref: KEGG:C15018



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Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    chemical entity 501
      molecular entity 501
        polyatomic entity 494
          heteroatomic molecular entity 444
            hydroxides 423
              organic hydroxy compound 143
                hydroxy steroid 20
                  3-hydroxy steroid 7
                    3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            organic molecule 473
                              organic cyclic compound 456
                                organic polycyclic compound 65
                                  steroid 40
                                    hydroxy steroid 20
                                      3-hydroxy steroid 7
                                        3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one 0
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