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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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
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                              organochalcogen compound 19051
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                                  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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