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CHEBI:4806 - (−)-epigallocatechin 3-gallate

ChEBI IDCHEBI:4806
ChEBI Name(−)-epigallocatechin 3-gallate
Stars
ASCII Name(-)-epigallocatechin 3-gallate
DefinitionA gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (−)-epigallocatechin.
Last Modified15 October 2021
DownloadsMolfile

FormulaC22H18O11
Net Charge0
Average Mass458.375
Monoisotopic Mass458.08491
SMILESO=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
InChIKeyWMBWREPUVVBILR-WIYYLYMNSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442)
- PubMed (21434603)
- MetaboLights (MTBLS403) From MetaboLights
Parapiptadenia rigida (ncbitaxon:148713) bark (BTO:0001301) PubMed (21080642) Ethanolic extract of air-dried, powdered bark
Roles Classification

ChEBI Ontology
IUPAC Name 
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Synonyms  Source
epigallocatechin 3-gallateKEGG COMPOUND
(−)-epigallocatechin-3-O-gallateChemIDplus
EGCGChemIDplus
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateChEBI
(−)-epigallocatechin gallateChemIDplus
(−)-epigallocatechol gallateChemIDplus
Manual XrefsDatabases
C09731KEGG COMPOUND
Epigallocatechin_gallateWikipedia
US2012309821Patent
CN102763743Patent
CN102600212Patent
LMPK12030005LIPID MAPS
HMDB0003153HMDB
C00000958KNApSAcK
KDHPDBeChem
LSM-5661LINCS
58575ChemSpider
Registry NumbersSources
Beilstein:3658838Beilstein
Reaxys:67944Reaxys
CAS:989-51-5KEGG COMPOUND
CAS:989-51-5ChemIDplus
Citations