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CHEBI:136601 - Epigallocatechin 3-O-p-coumarate

ChEBI IDCHEBI:136601
ChEBI NameEpigallocatechin 3-O-p-coumarate
Stars
Last Modified21 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC24H20O9
Net Charge0
Average Mass452.415
Monoisotopic Mass452.11073
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
InChIInChI=1S/C24H20O9/c25-14-4-1-12(2-5-14)3-6-22(30)32-21-11-16-17(27)9-15(26)10-20(16)33-24(21)13-7-18(28)23(31)19(29)8-13/h1-10,21,24-29,31H,11H2/b6-3+/t21-,24-/m1/s1
InChIKeyHKPGWUPXXPIOAN-XMTAIGAMSA-N
ChEBI Ontology
Outgoing Relation(s)
Epigallocatechin 3-O-p-coumarate (CHEBI:136601) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12020117LIPID MAPS
HMDB0038362HMDB