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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 22279
        role 22263
          chemical role 21487
            antioxidant 16423
              quercetin 4348
                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 + 100
                velloquercetin 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22279
        subatomic particle 22273
          composite particle 22273
            hadron 22273
              baryon 22273
                nucleon 22273
                  atomic nucleus 22273
                    atom 22273
                      main group element atom 22152
                        p-block element atom 22152
                          carbon group element atom 21955
                            carbon atom 21895
                              organic molecular entity 21895
                                organic molecule 21723
                                  organic cyclic compound 21337
                                    organic heterocyclic compound 20345
                                      oxacycle 18893
                                        benzopyran 12219
                                          1-benzopyran 11979
                                            flavonoid 7296
                                              anthoxanthin 4638
                                                flavones 4638
                                                  hydroxyflavone 4614
                                                    flavonols 4480
                                                      7-hydroxyflavonol 4412
                                                        quercetin 4348
                                                          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 + 100
                                                          velloquercetin 0
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