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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-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
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Accession:CHEBI:79685 term browser browse the term
Definition:A steroid that has formula C21H28O2.
Synonyms:related_synonym: Formula=C21H28O2;   InChI=1S/C21H28O2/c1-13(22)19-8-9-20-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19-,20+,21-/m1/s1;   InChIKey=ILVARFYPEVEZSJ-SSSFQFABSA-N;   SMILES=COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CCc2c1
 xref: KEGG:C15167



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Path 1
Term Annotations click to browse term
  CHEBI ontology 918
    chemical entity 918
      atom 903
        nonmetal atom 856
          carbon atom 838
            organic molecular entity 838
              lipid 244
                steroid 96
                  3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 918
    subatomic particle 903
      composite particle 903
        hadron 903
          baryon 903
            nucleon 903
              atomic nucleus 903
                atom 903
                  main group element atom 866
                    p-block element atom 863
                      carbon group element atom 839
                        carbon atom 838
                          organic molecular entity 838
                            organic molecule 757
                              organic cyclic compound 665
                                organic polycyclic compound 132
                                  steroid 96
                                    steroid fundamental parent 74
                                      pregnane 43
                                        3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one 0
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