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CHEBI:136605 - Epigallocatechin 3,5-Digallate

ChEBI IDCHEBI:136605
ChEBI NameEpigallocatechin 3,5-Digallate
Stars
Last Modified21 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC29H22O15
Net Charge0
Average Mass610.480
Monoisotopic Mass610.09587
SMILESO=C(Oc1cc(O)cc2c1C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
InChIKeyRKUDRJTZBDEGNP-YIXXDRMTSA-N
ChEBI Ontology
Outgoing Relation(s)
Epigallocatechin 3,5-Digallate (CHEBI:136605) is a catechin (CHEBI:23053)
Manual XrefsDatabases
HMDB0038364HMDB