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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-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
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Accession:CHEBI:79633 term browser browse the term
Definition:A ketone that has formula C20H26O2.
Synonyms:related_synonym: 3-Methoxy-5,19-cyclo-5,10-secoandrosta-1(10),2,4-trien-17-one;   Formula=C20H26O2;   InChI=1S/C20H26O2/c1-20-10-9-16-14-4-5-15(22-2)12-13(11-14)3-6-17(16)18(20)7-8-19(20)21/h4-5,12,16-18H,3,6-11H2,1-2H3/t16-,17-,18+,20+/m1/s1;   InChIKey=FBRCEPPRCFBOKU-XSYGEPLQSA-N;   SMILES=COC1=CC=C2CC(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)=C1
 xref: CAS:2686-05-7;   KEGG:C15114


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Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      group 19788
        inorganic group 19381
          oxo group 18874
            organic oxo compound 18874
              carbonyl compound 18874
                ketone 17181
                  3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbonyl compound 18874
                                    ketone 17181
                                      3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one 0
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