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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:pedunculosumoside A
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Accession:CHEBI:67873 term browser browse the term
Definition:A homoflavonoid glycoside that is ophioglonol substituted by a prenyl group at position 5' as well as 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl and beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. Isolated from the whole plants of Ophioglossum pedunculosum, it exhibits anti-HBV activity.
Synonyms:exact_synonym: 4-[7-{[2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl beta-D-glucopyranoside
 related_synonym: 5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-4'-O-beta-D-glucopyranoside;   Formula=C39H50O22;   InChI=1S/C39H50O22/c1-13(2)3-4-14-5-15(6-19(45)35(14)60-37-32(53)29(50)26(47)21(10-41)57-37)34-17(9-40)25(46)24-18(44)7-16(8-20(24)56-34)55-39-36(31(52)28(49)23(12-43)59-39)61-38-33(54)30(51)27(48)22(11-42)58-38/h3,5-8,21-23,26-33,36-45,47-54H,4,9-12H2,1-2H3/t21-,22-,23-,26-,27-,28-,29+,30+,31+,32-,33-,36-,37+,38+,39-/m1/s1;   InChIKey=XWEFVEFGSLLUFG-LKAUHASFSA-N;   SMILES=CC(C)=CCc1cc(cc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1CO
 xref: PMID:21401115;   Reaxys:21523329


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  CHEBI ontology 19808
    role 19757
      biological role 19757
        epitope 6975
          beta-D-glucose 1605
            beta-D-glucoside 1412
              pedunculosumoside A 0
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  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon atom 19616
                          organic molecular entity 19616
                            heteroorganic entity 19280
                              organochalcogen compound 19051
                                organooxygen compound 19001
                                  carbohydrates and carbohydrate derivatives 12344
                                    carbohydrate 12344
                                      monosaccharide 4297
                                        aldose 2673
                                          aldohexose 2310
                                            glucose 2273
                                              D-glucose 2273
                                                D-glucopyranose 1739
                                                  beta-D-glucose 1605
                                                    beta-D-glucoside 1412
                                                      pedunculosumoside A 0
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