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: 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
CHEBI ontology
19918
role
19894
chemical role
19512
antioxidant
16062
quercetin
4325
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 +
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 +
465
quercetin sulfate +
6
rhamnacene +
0
rhamnetin
0
tamarixetin
9
taxifolin +
94
velloquercetin
0
Path 2
CHEBI ontology
19918
subatomic particle
19916
composite particle
19916
hadron
19916
baryon
19916
nucleon
19916
atomic nucleus
19916
atom
19916
main group element atom
19866
p-block element atom
19866
carbon group element atom
19811
carbon atom
19806
organic molecular entity
19806
organic molecule
19758
organic cyclic compound
19565
organic heterocyclic compound
18906
oxacycle
17850
benzopyran
11796
1-benzopyran
11539
flavonoid
6906
anthoxanthin
4541
flavones
4541
hydroxyflavone
4519
flavonols
4410
7-hydroxyflavonol
4387
quercetin
4325
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 +
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 +
465
quercetin sulfate +
6
rhamnacene +
0
rhamnetin
0
tamarixetin
9
taxifolin +
94
velloquercetin
0