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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 22182
        role 22167
          chemical role 21414
            antioxidant 16402
              quercetin 4345
                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 + 57
                multinoside A 0
                ombuin 0
                pachypodol 0
                pinoquercetin 0
                quercetagetin + 282
                quercetin 3,4'-dimethyl ether 0
                quercetin 5,7,3',4'-tetramethyl ether 0
                quercetin 7,3',4'-trimethyl ether 0
                quercetin O-glycoside + 465
                quercetin sulfate + 6
                rhamnacene + 0
                rhamnetin 0
                tamarixetin 8
                taxifolin + 94
                velloquercetin 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22182
        subatomic particle 22174
          composite particle 22174
            hadron 22174
              baryon 22174
                nucleon 22174
                  atomic nucleus 22174
                    atom 22174
                      main group element atom 22108
                        p-block element atom 22108
                          carbon group element atom 21909
                            carbon atom 21835
                              organic molecular entity 21835
                                organic molecule 21652
                                  organic cyclic compound 21261
                                    organic heterocyclic compound 20329
                                      oxacycle 18860
                                        benzopyran 12200
                                          1-benzopyran 11958
                                            flavonoid 7258
                                              anthoxanthin 4590
                                                flavones 4590
                                                  hydroxyflavone 4567
                                                    flavonols 4457
                                                      7-hydroxyflavonol 4406
                                                        quercetin 4345
                                                          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 + 57
                                                          multinoside A 0
                                                          ombuin 0
                                                          pachypodol 0
                                                          pinoquercetin 0
                                                          quercetagetin + 282
                                                          quercetin 3,4'-dimethyl ether 0
                                                          quercetin 5,7,3',4'-tetramethyl ether 0
                                                          quercetin 7,3',4'-trimethyl ether 0
                                                          quercetin O-glycoside + 465
                                                          quercetin sulfate + 6
                                                          rhamnacene + 0
                                                          rhamnetin 0
                                                          tamarixetin 8
                                                          taxifolin + 94
                                                          velloquercetin 0
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