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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:digoxigenin 3,12-diacetate
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Accession:CHEBI:63498 term browser browse the term
Definition:A steroid ester that is the 3,12-diacetyl derivative of digoxigenin.
Synonyms:exact_synonym: (3beta,5beta,12beta)-3,12-diacetoxy-14-hydroxycard-20(22)-enolide
 related_synonym: 3,12-Diacetyldigoxigenin;   3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3,12-diacetate;   3beta,12beta-diacetoxy-14-hydroxy-5beta,14beta-card-20(22)-enolide;   Diacetyldigoxigenin;   Digoxigenin diacetate;   Formula=C27H38O7;   InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-22(25)13-23(34-16(2)29)26(4)20(8-10-27(21,26)31)17-11-24(30)32-14-17/h11,18-23,31H,5-10,12-14H2,1-4H3/t18-,19+,20-,21-,22+,23-,25+,26+,27+/m1/s1;   InChIKey=PERJXZOIRVHGPJ-SHSBHQNSSA-N;   SMILES=[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](OC(C)=O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)OC(C)=O
 xref: CAS:6078-59-7;   PMID:7739045;   Reaxys:67275

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  CHEBI ontology 24382
    role 24293
      biological role 24260
        hapten 3044
          digoxigenin 11
            digoxigenin 3,12-diacetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24382
    subatomic particle 24339
      composite particle 24339
        hadron 24339
          baryon 24339
            nucleon 24339
              atomic nucleus 24339
                atom 24339
                  main group element atom 24188
                    p-block element atom 24188
                      carbon group element atom 23967
                        carbon atom 23924
                          organic molecular entity 23924
                            organic group 22198
                              organic divalent group 22172
                                organodiyl group 22172
                                  carbonyl group 22155
                                    carbonyl compound 22155
                                      carboxylic ester 15268
                                        lactone 6205
                                          steroid lactone 403
                                            cardanolide 42
                                              5beta-cardanolide 42
                                                digoxigenin 11
                                                  digoxigenin 3,12-diacetate 0
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