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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 19751
        role 19724
          chemical role 19366
            antioxidant 15681
              quercetin 4305
                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 + 54
                multinoside A 0
                ombuin 0
                pachypodol 0
                pinoquercetin 0
                quercetagetin + 281
                quercetin 3,4'-dimethyl ether 0
                quercetin 5,7,3',4'-tetramethyl ether 0
                quercetin 7,3',4'-trimethyl ether 0
                quercetin O-glycoside + 462
                quercetin sulfate + 6
                rhamnacene + 0
                rhamnetin 0
                tamarixetin 9
                taxifolin + 90
                velloquercetin 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19751
        subatomic particle 19749
          composite particle 19749
            hadron 19749
              baryon 19749
                nucleon 19749
                  atomic nucleus 19749
                    atom 19749
                      main group element atom 19698
                        p-block element atom 19698
                          carbon group element atom 19644
                            carbon atom 19640
                              organic molecular entity 19640
                                organic molecule 19602
                                  organic cyclic compound 19412
                                    organic heterocyclic compound 18771
                                      oxacycle 17731
                                        benzopyran 11679
                                          1-benzopyran 11445
                                            flavonoid 6795
                                              anthoxanthin 4493
                                                flavones 4493
                                                  hydroxyflavone 4478
                                                    flavonols 4379
                                                      7-hydroxyflavonol 4356
                                                        quercetin 4305
                                                          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 + 54
                                                          multinoside A 0
                                                          ombuin 0
                                                          pachypodol 0
                                                          pinoquercetin 0
                                                          quercetagetin + 281
                                                          quercetin 3,4'-dimethyl ether 0
                                                          quercetin 5,7,3',4'-tetramethyl ether 0
                                                          quercetin 7,3',4'-trimethyl ether 0
                                                          quercetin O-glycoside + 462
                                                          quercetin sulfate + 6
                                                          rhamnacene + 0
                                                          rhamnetin 0
                                                          tamarixetin 9
                                                          taxifolin + 90
                                                          velloquercetin 0
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