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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:kidjoranin-3-O-beta-digitoxopyranoside
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Accession:CHEBI:66145 term browser browse the term
Definition:A steroid glycoside isolated from the roots of Cynanchum auriculatum and has been shown to exhibit cytotoxicity against human tumour cell lines.
Synonyms:exact_synonym: (3beta,12beta,14beta,17alpha)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl (2E)-3-phenylprop-2-enoate
 related_synonym: Formula=C36H48O10;   InChI=1S/C36H48O10/c1-21-31(40)26(38)19-30(44-21)45-25-13-14-32(3)24(18-25)12-15-35(42)27(32)20-28(46-29(39)11-10-23-8-6-5-7-9-23)33(4)34(41,22(2)37)16-17-36(33,35)43/h5-12,21,25-28,30-31,38,40-43H,13-20H2,1-4H3/b11-10+/t21-,25+,26+,27-,28-,30+,31-,32+,33-,34-,35+,36-/m1/s1;   InChIKey=PIWUFWOLNMAXSJ-WAHAIZDPSA-N;   Kidjoranin glycoside;   SMILES=[H][C@@]1(C[C@H](O)[C@H](O)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1(O)[C@]2([H])C[C@@H](OC(=O)\\C=C\\c2ccccc2)[C@]2(C)[C@@](O)(CC[C@]12O)C(C)=O
 xref: PMID:18401845;   Reaxys:15851977


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  CHEBI ontology 19770
    role 19718
      biological role 19717
        biochemical role 19222
          metabolite 19199
            kidjoranin-3-O-beta-digitoxopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19550
                        carbon atom 19539
                          organic molecular entity 19539
                            organic group 18488
                              organic divalent group 18481
                                organodiyl group 18481
                                  carbonyl group 18384
                                    carbonyl compound 18384
                                      ketone 16135
                                        oxyketone 8623
                                          alpha-oxyketone 8623
                                            alpha-hydroxy ketone 8623
                                              tertiary alpha-hydroxy ketone 8351
                                                kidjoranin-3-O-beta-digitoxopyranoside 0
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