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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 19853
    role 19804
      biological role 19804
        epitope 6845
          beta-D-glucose 1609
            beta-D-glucoside 1416
              sitoindoside IX 0
Path 2
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  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            heteroorganic entity 19229
                              organochalcogen compound 18933
                                organooxygen compound 18856
                                  carbohydrates and carbohydrate derivatives 12248
                                    carbohydrate 12248
                                      monosaccharide 4180
                                        aldose 2556
                                          aldohexose 2197
                                            glucose 2159
                                              D-glucose 2159
                                                D-glucopyranose 1720
                                                  beta-D-glucose 1609
                                                    beta-D-glucoside 1416
                                                      sitoindoside IX 0
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