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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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  CHEBI ontology 228
    role 228
      biological role 228
        epitope 18
          beta-D-glucose 1
            beta-D-glucoside 1
              sitoindoside IX 0
Path 2
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  CHEBI ontology 228
    subatomic particle 228
      composite particle 228
        hadron 228
          baryon 228
            nucleon 228
              atomic nucleus 228
                atom 228
                  main group element atom 221
                    p-block element atom 221
                      carbon group element atom 209
                        carbon atom 208
                          organic molecular entity 208
                            heteroorganic entity 202
                              organochalcogen compound 169
                                organooxygen compound 168
                                  carbohydrates and carbohydrate derivatives 38
                                    carbohydrate 38
                                      monosaccharide 6
                                        aldose 2
                                          aldohexose 2
                                            glucose 2
                                              D-glucose 2
                                                D-glucopyranose 1
                                                  beta-D-glucose 1
                                                    beta-D-glucoside 1
                                                      sitoindoside IX 0
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