EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136556 - (-)-Epigallocatechin-3-O-(3'-O-methyl)-gallate

ChEBI IDCHEBI:136556
ChEBI Name(-)-Epigallocatechin-3-O-(3'-O-methyl)-gallate
Stars
Last Modified21 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC23H20O11
Net Charge0
Average Mass472.402
Monoisotopic Mass472.10056
SMILESCOc1cc(C(=O)O[C@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O
InChIInChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m0/s1
InChIKeyWVRDOLPMKOCJRJ-UGKGYDQZSA-N
ChEBI Ontology
Outgoing Relation(s)
(-)-Epigallocatechin-3-O-(3'-O-methyl)-gallate (CHEBI:136556) is a catechin (CHEBI:23053)