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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: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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Term Annotations click to browse term
  CHEBI ontology 19840
    role 19790
      biological role 19790
        hapten 3010
          digoxigenin 10
            digoxigenin 3,12-diacetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    p-block element atom 19730
                      carbon group element atom 19635
                        carbon atom 19624
                          organic molecular entity 19624
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic ester 14374
                                        lactone 5992
                                          steroid lactone 405
                                            cardanolide 41
                                              5beta-cardanolide 41
                                                digoxigenin 10
                                                  digoxigenin 3,12-diacetate 0
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