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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-glucosyl-(1->2)-beta-D-glucoside
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Accession:CHEBI:32082 term browser browse the term
Definition:A quercetin O-glucoside that is quercetin attached to a beta-D-sophorosyl residue at position 3 via a glycosidic linkage.
Synonyms:exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
 related_synonym: 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;   Baimaside;   Formula=C27H30O17;   InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1;   InChIKey=RDUAJIJVNHKTQC-UJECXLDQSA-N;   QUOSP;   Quercetin 3-O-sophoroside;   Quercetin 3-beta-D-sophoroside;   SMILES=OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
 xref: CAS:18609-17-1;   KEGG:C12667;   KNApSAcK:C00005409;   PMID:12403302;   PMID:15688956;   PMID:20131841;   PMID:22410419;   PMID:24273859;   PMID:25924517;   PMID:28213296;   PMID:31441626;   PMID:31771913;   PMID:9416471;   Reaxys:1278846
 cyclic_relationship: is_conjugate_acid_of CHEBI:144438

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside 0
            quercetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-beta-D-glucoside] 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid 0
                                          anthoxanthin 0
                                            flavones 0
                                              hydroxyflavone 0
                                                tetrahydroxyflavone 0
                                                  quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside 0
                                                    quercetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-beta-D-glucoside] 0
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