Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21552
    role 21530
      biological role 21528
        epitope 6995
          beta-D-glucose 1617
            beta-D-glucoside 1421
              sitoindoside IX 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21552
    subatomic particle 21537
      composite particle 21537
        hadron 21537
          baryon 21537
            nucleon 21537
              atomic nucleus 21537
                atom 21537
                  main group element atom 21442
                    p-block element atom 21442
                      carbon group element atom 21235
                        carbon atom 21133
                          organic molecular entity 21133
                            heteroorganic entity 20770
                              organochalcogen compound 19989
                                organooxygen compound 19910
                                  carbohydrates and carbohydrate derivatives 12807
                                    carbohydrate 12807
                                      monosaccharide 4216
                                        aldose 2586
                                          aldohexose 2226
                                            glucose 2187
                                              D-glucose 2187
                                                D-glucopyranose 1725
                                                  beta-D-glucose 1617
                                                    beta-D-glucoside 1421
                                                      sitoindoside IX 0
paths to the root