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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:triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
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Accession:CHEBI:48454 term browser browse the term
Definition:An organic salt that has formula C30H28F2O6S2.
Synonyms:exact_synonym: triphenylsulfonium 1,1-difluoro-2-oxo-2-[(4-oxoadamantan-1-yl)oxy]ethanesulfonate
 related_synonym: Formula=C30H28F2O6S2;   InChI=1S/C18H15S.C12H14F2O6S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11/h1-15H;6-8H,1-5H2,(H,17,18,19)/q+1;/p-1;   InChIKey=BAHMOGUQNNDZRT-UHFFFAOYSA-M;   SMILES=c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2
 xref: Patent:EP1873143


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      molecular entity 19784
        ion 15918
          anion 14924
            salt 14612
              organic salt 2364
                triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      ketone 16144
                                        cyclic ketone 13813
                                          adamantanones 0
                                            idramantone 0
                                              triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate 0
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