(-)-epigallocatechin-3-O-gallate

(-)-epigallocatechin-3-<i>O</i>-gallate




Chemical Formula:
C22H18O11
Molecular Weight:
458.378 Daltons
Monoisotopic Mass:
458.08491142089997 Daltons
SMILES:
C1(C(O)=C(O)C(O)=CC=1C3(OC4(C(CC(OC(=O)C2(C=C(O)C(O)=C(O)C=2))3)=C(O)C=C(O)C=4)))
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
InChIKey:
WMBWREPUVVBILR-WIYYLYMNSA-N

Synonyms
  • [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
  • (-)-epigallocatechin 3-gallate

Databases
MetaCyc:  CPD-15291
MetaboLights:  MTBLC4806
HMDB:  HMDB03153
LIPID MAPS:  LMPK12030005
KEGG:  C09731
ChEBI:  4806
PubChem (CID):  65064
Seed:  cpd06623
MetaNetX:  MNXM30289