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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
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Accession:CHEBI:16243 term browser browse the term
Definition:A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine.
Synonyms:exact_synonym: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
 related_synonym: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one;   3,3',4',5,7-pentahydroxyflavone;   Formula=C15H10O7;   InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H;   InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-N;   SMILES=OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1;   sophoretin;   xanthaurine
 alt_id: CHEBI:11704;   CHEBI:14991;   CHEBI:26472;   CHEBI:45280;   CHEBI:8696
 xref: Beilstein:317313;   CAS:117-39-5;   DrugBank:DB04216;   Drug_Central:3514;   FooDB:FDB011904;   Gmelin:579210;   HMDB:HMDB0005794;   KEGG:C00389;   KNApSAcK:C00004631;   LINCS:LSM-4199;   LIPID_MAPS_instance:LMPK12110004
 xref_mesh: MESH:D011794
 xref: MetaCyc:CPD-520;   PDBeChem:QUE;   PMID:16226777;   PMID:17015250;   PMID:17135030;   PMID:17426744;   PMID:18096136;   PMID:18484521;   PMID:18549926;   PMID:18564899;   PMID:18579649;   PMID:18785622;   PMID:19043800;   PMID:19461927;   PMID:22920589;   PMID:23342112;   PMID:23359794;   PMID:27565033;   PMID:27589790;   PMID:27591927;   PMID:27704720;   Patent:KR20120121684;   Patent:US2013012577;   Reaxys:317313;   Wikipedia:Quercetin
 cyclic_relationship: is_conjugate_acid_of CHEBI:57694


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 26040
        role 25956
          chemical role 24245
            antioxidant 17490
              quercetin 4477
                3',4',5,7-tetrahydroxy-3-methoxyflavone + 0
                3',4',5-trihydroxy-3,7-dimethoxyflavone 6
                3',5-dihydroxy-3,4',7-trimethoxyflavone 0
                3,3'-dimethylquercetin 0
                8,8"-methylene-bisquercetin 0
                azaleatin 0
                cudranian 2 0
                isorhamnetin + 58
                multinoside A 0
                ombuin 0
                pachypodol 0
                pinoquercetin 0
                quercetagetin + 283
                quercetin 3,4'-dimethyl ether 0
                quercetin 5,7,3',4'-tetramethyl ether 0
                quercetin 7,3',4'-trimethyl ether 0
                quercetin O-glycoside + 473
                quercetin sulfate + 6
                rhamnacene + 0
                rhamnetin 0
                tamarixetin 9
                taxifolin + 95
                velloquercetin 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 26040
        subatomic particle 26015
          composite particle 26015
            hadron 26015
              baryon 26015
                nucleon 26015
                  atomic nucleus 26015
                    atom 26015
                      main group element atom 25840
                        p-block element atom 25840
                          carbon group element atom 25437
                            carbon atom 25395
                              organic molecular entity 25395
                                organic molecule 25223
                                  organic cyclic compound 24277
                                    organic heterocyclic compound 22320
                                      oxacycle 20023
                                        benzopyran 12740
                                          1-benzopyran 12476
                                            flavonoid 7601
                                              anthoxanthin 4701
                                                flavones 4701
                                                  hydroxyflavone 4680
                                                    flavonols 4566
                                                      7-hydroxyflavonol 4540
                                                        quercetin 4477
                                                          3',4',5,7-tetrahydroxy-3-methoxyflavone + 0
                                                          3',4',5-trihydroxy-3,7-dimethoxyflavone 6
                                                          3',5-dihydroxy-3,4',7-trimethoxyflavone 0
                                                          3,3'-dimethylquercetin 0
                                                          8,8"-methylene-bisquercetin 0
                                                          azaleatin 0
                                                          cudranian 2 0
                                                          isorhamnetin + 58
                                                          multinoside A 0
                                                          ombuin 0
                                                          pachypodol 0
                                                          pinoquercetin 0
                                                          quercetagetin + 283
                                                          quercetin 3,4'-dimethyl ether 0
                                                          quercetin 5,7,3',4'-tetramethyl ether 0
                                                          quercetin 7,3',4'-trimethyl ether 0
                                                          quercetin O-glycoside + 473
                                                          quercetin sulfate + 6
                                                          rhamnacene + 0
                                                          rhamnetin 0
                                                          tamarixetin 9
                                                          taxifolin + 95
                                                          velloquercetin 0
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