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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:quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
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Accession:CHEBI:32081 term browser browse the term
Definition:A quercetin O-glucoside that is quercetin attached to a beta-D-sambubiosyl residue at position 3 via a glycosidc linkage.
Synonyms:exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
 related_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-4H-1-benzopyran-4-one;   Formula=C26H28O16;   InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1;   InChIKey=NKFZLEYLWAFYEH-CJNLAGEVSA-N;   SMILES=OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O;   quercetin 3-sambubioside
 xref: CAS:83048-35-5;   KEGG:C12637;   LIPID_MAPS_instance:LMPK12112090;   PMID:10230515;   PMID:15598565;   Reaxys:4344863


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  CHEBI ontology 26050
    role 25966
      chemical role 24256
        antioxidant 17503
          quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] 0
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  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            organic molecule 25233
                              organic cyclic compound 24287
                                organic heterocyclic compound 22334
                                  oxacycle 20035
                                    benzopyran 12744
                                      1-benzopyran 12480
                                        flavonoid 7604
                                          anthoxanthin 4704
                                            flavones 4704
                                              hydroxyflavone 4683
                                                flavonols 4569
                                                  7-hydroxyflavonol 4543
                                                    quercetin 4478
                                                      quercetin O-glycoside 473
                                                        quercetin O-glucoside 201
                                                          quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] 0
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