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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-glucopyranoside
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Accession:CHEBI:68352 term browser browse the term
Definition:A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells
Synonyms:exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
 related_synonym: 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;   2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;   Formula=C21H20O12;   InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1;   InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-N;   Isoquercitrin;   Isotrifoliin;   SMILES=OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O;   isoquercetin
 xref: CAS:21637-25-2;   CAS:482-35-9;   HMDB:HMDB0037362;   KEGG:C05623;   KNApSAcK:C00005373;   LINCS:LSM-5818
 xref_mesh: MESH:C016527
 xref: PDBeChem:HW2;   PMID:21261296;   PMID:23856528;   PMID:28702430;   PMID:29141065;   PMID:29317330;   PMID:29852784;   PMID:30365939;   PMID:30652973;   PMID:30817903;   PMID:31063809;   PMID:31271108;   PMID:31315526;   PMID:31441715;   PMID:31500646;   PMID:31577306;   PMID:31639004;   PMID:31677037;   PMID:31679851;   PMID:31712059;   PMID:31715232;   PMID:31844103;   PMID:31870463;   Reaxys:100989;   Wikipedia:Isoquercetin
 cyclic_relationship: is_conjugate_acid_of CHEBI:144437

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  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          quercetin 3-O-beta-D-glucopyranoside 0
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  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
                                                flavonols 0
                                                  7-hydroxyflavonol 0
                                                    quercetin 0
                                                      quercetin O-glycoside 0
                                                        quercetin O-glucoside 0
                                                          quercetin 3-O-beta-D-glucopyranoside 0
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