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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-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
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Accession:CHEBI:66286 term browser browse the term
Definition:A quercetin O-glucoside that consists of quercetin attached to a beta-D-glucopyranosyl moiety at position 7 and a alpha-L-6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from the leaves of Ginkgo biloba, it exhibits antioxidant activity.
Synonyms:exact_synonym: 3-[(6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
 related_synonym: Formula=C42H46O23;   InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1;   InChIKey=SHRUKDVTMUBNTL-XJRUTDMXSA-N;   SMILES=[H][C@]1(O[C@H](COC(=O)\\C=C\\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
 xref: PMID:11738417;   Reaxys:9183212


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  CHEBI ontology 19893
    role 19863
      chemical role 19493
        antioxidant 16187
          quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside 0
Path 2
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  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                organic heterocyclic compound 18887
                                  oxacycle 17919
                                    benzopyran 11989
                                      1-benzopyran 11742
                                        flavonoid 7234
                                          anthoxanthin 4589
                                            flavones 4589
                                              hydroxyflavone 4566
                                                flavonols 4432
                                                  7-hydroxyflavonol 4397
                                                    quercetin 4330
                                                      quercetin O-glycoside 468
                                                        quercetin O-glucoside 206
                                                          quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside 0
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