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Epigallocatechin gallate

C22H18O11 458.4 g/mol
H O O H O O H H O H O O O H O H O H O
Name Epigallocatechin gallate
Alternative name (-)epigallocatechin-3-gallate
Formula C22H18O11
Formula Weight 458.40 g/mol
Molecular Weight 458.40 g/mol
Monoisotopic Mass 458.085000 g/mol
InChI Key WMBWREPUVVBILR-WIYYLYMNSA-N
IUPAC [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI InChI=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
SMILES [H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1
Food Berry
Food Source Strawberry
Family Phenolic
Class Flavonoid
Subclass Group Flavan-3-ol
Subclass Flavanol
Metabolite Flavanol metabolite
CASNO 989-51-5
HMDB HMDB0003153
PubChem 65064
KEGG C09731
FooDB FDB093704
DrugBank DB12116
ChEBI 4806
BioCyc CPD-10411
METLIN 3550.0