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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: 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 26496
        role 26318
          chemical role 24349
            antioxidant 17523
              quercetin 4479
                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 + 474
                quercetin sulfate + 6
                rhamnacene + 0
                rhamnetin 0
                tamarixetin 9
                taxifolin + 102
                velloquercetin 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 26496
        subatomic particle 26472
          composite particle 26472
            hadron 26472
              baryon 26472
                nucleon 26472
                  atomic nucleus 26472
                    atom 26472
                      main group element atom 26208
                        p-block element atom 26208
                          carbon group element atom 25651
                            carbon atom 25613
                              organic molecular entity 25613
                                organic molecule 25357
                                  organic cyclic compound 24410
                                    organic heterocyclic compound 22415
                                      oxacycle 20178
                                        benzopyran 12763
                                          1-benzopyran 12502
                                            flavonoid 7640
                                              anthoxanthin 4746
                                                flavones 4746
                                                  hydroxyflavone 4724
                                                    flavonols 4583
                                                      7-hydroxyflavonol 4545
                                                        quercetin 4479
                                                          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 + 474
                                                          quercetin sulfate + 6
                                                          rhamnacene + 0
                                                          rhamnetin 0
                                                          tamarixetin 9
                                                          taxifolin + 102
                                                          velloquercetin 0
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