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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:sitoindoside IX
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Accession:CHEBI:69119 term browser browse the term
Definition:A withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,22R)-4-hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-27-yl beta-D-glucopyranoside
 related_synonym: 27-O-beta-D-glucopyranosylwithaferin A;   Formula=C34H48O11;   InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1;   InChIKey=WKCJIGSUKSPCKI-WNXUODGFSA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
 xref: CAS:118853-45-5;   PMID:14575818;   PMID:22098611;   Reaxys:8605359


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Term Annotations click to browse term
  CHEBI ontology 24381
    role 24291
      biological role 24258
        epitope 7223
          beta-D-glucose 1649
            beta-D-glucoside 1458
              sitoindoside IX 0
Path 2
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  CHEBI ontology 24381
    subatomic particle 24338
      composite particle 24338
        hadron 24338
          baryon 24338
            nucleon 24338
              atomic nucleus 24338
                atom 24338
                  main group element atom 24185
                    p-block element atom 24185
                      carbon group element atom 23965
                        carbon atom 23925
                          organic molecular entity 23925
                            heteroorganic entity 23275
                              organochalcogen compound 22771
                                organooxygen compound 22608
                                  carbohydrates and carbohydrate derivatives 13072
                                    carbohydrate 13072
                                      monosaccharide 4321
                                        aldose 2628
                                          aldohexose 2246
                                            glucose 2207
                                              D-glucose 2207
                                                D-glucopyranose 1756
                                                  beta-D-glucose 1649
                                                    beta-D-glucoside 1458
                                                      sitoindoside IX 0
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