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
Accession: CHEBI:16243
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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
CHEBI ontology
26503
role
26326
chemical role
24363
antioxidant
17560
quercetin
4486
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 +
293
quercetin 3,4'-dimethyl ether
0
quercetin 5,7,3',4'-tetramethyl ether
0
quercetin 7,3',4'-trimethyl ether
0
quercetin O-glycoside +
476
quercetin sulfate +
6
rhamnacene +
0
rhamnetin
0
tamarixetin
9
taxifolin +
102
velloquercetin
0
Path 2
CHEBI ontology
26503
subatomic particle
26479
composite particle
26479
hadron
26479
baryon
26479
nucleon
26479
atomic nucleus
26479
atom
26479
main group element atom
26217
p-block element atom
26217
carbon group element atom
25662
carbon atom
25624
organic molecular entity
25624
organic molecule
25368
organic cyclic compound
24427
organic heterocyclic compound
22432
oxacycle
20197
benzopyran
12784
1-benzopyran
12522
flavonoid
7657
anthoxanthin
4752
flavones
4752
hydroxyflavone
4730
flavonols
4589
7-hydroxyflavonol
4551
quercetin
4486
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 +
293
quercetin 3,4'-dimethyl ether
0
quercetin 5,7,3',4'-tetramethyl ether
0
quercetin 7,3',4'-trimethyl ether
0
quercetin O-glycoside +
476
quercetin sulfate +
6
rhamnacene +
0
rhamnetin
0
tamarixetin
9
taxifolin +
102
velloquercetin
0