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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 7,4'-di-O-beta-D-glucoside
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Accession:CHEBI:131499 term browser browse the term
Definition:A quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 7 and 4'.
Synonyms:exact_synonym: 4-[7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside
 related_synonym: Formula=C27H30O17;   InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1;   InChIKey=QZXHFNCQMMUANB-UINLEYECSA-N;   Quercetin 7,4'-diglucoside;   SMILES=C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)=O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O;   quercetin 4',7-O-beta-D-diglucoside;   quercetin 7,4'-O-diglucoside
 xref: CAS:42900-82-3;   Chemspider:28650550;   HMDB:HMDB0037356;   KNApSAcK:C00005438;   LIPID_MAPS_instance:LMPK12112204;   PMID:25466012;   Reaxys:9684271



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      biological role 19808
        epitope 7032
          beta-D-glucose 1659
            beta-D-glucoside 1465
              quercetin 7,4'-di-O-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic molecule 19680
                              organic cyclic compound 19492
                                organic heterocyclic compound 18854
                                  oxacycle 17814
                                    benzopyran 11778
                                      1-benzopyran 11522
                                        flavonoid 6899
                                          anthoxanthin 4538
                                            flavones 4538
                                              hydroxyflavone 4516
                                                flavonols 4406
                                                  7-hydroxyflavonol 4383
                                                    quercetin 4321
                                                      quercetin O-glycoside 465
                                                        quercetin O-glucoside 205
                                                          quercetin 7,4'-di-O-beta-D-glucoside 0
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