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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:withalongolide J
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Accession:CHEBI:69114 term browser browse the term
Definition:A withanolide saponin that consists of 22,26-epoxyergosta-5,24-dien-28-ol substituted by additional hydroxy groups at positions 1, 3 and 19, an oxo group at position 26 and a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the aerial parts of Physalis longifolia.
Synonyms:exact_synonym: (22R)-1alpha,3beta,19-trihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-28-yl beta-D-glucopyranoside
 related_synonym: 28-O-beta-D-glucopyranosyl-1alpha,3beta,19-trihydroxywitha-5,24-dienolide;   Formula=C34H52O11;   InChI=1S/C34H52O11/c1-16-18(14-43-32-30(41)29(40)28(39)26(13-35)45-32)10-25(44-31(16)42)17(2)22-6-7-23-21-5-4-19-11-20(37)12-27(38)34(19,15-36)24(21)8-9-33(22,23)3/h4,17,20-30,32,35-41H,5-15H2,1-3H3/t17-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1;   InChIKey=JDYYLQIQTRWVFW-ILJUDCBVSA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1
 xref: PMID:22098611;   Reaxys:22217722



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  CHEBI ontology 19844
    role 19820
      biological role 19818
        epitope 7031
          beta-D-glucose 1660
            beta-D-glucoside 1465
              withalongolide J 0
Path 2
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  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      monosaccharide 4807
                                        aldose 3226
                                          aldohexose 2877
                                            glucose 2831
                                              D-glucose 2829
                                                D-glucopyranose 1807
                                                  beta-D-glucose 1660
                                                    beta-D-glucoside 1465
                                                      withalongolide J 0
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