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CHEBI:176322 - (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide

ChEBI IDCHEBI:176322
ChEBI Name(-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36O22
Net Charge0
Average Mass796.640
Monoisotopic Mass796.16982
SMILESO=C(O[C@@H]1Cc2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChIInChI=1S/C34H36O22/c35-8-20-22(42)23(43)26(46)33(54-20)51-11-5-13(36)12-7-19(28(52-18(12)6-11)9-1-14(37)21(41)15(38)2-9)53-32(50)10-3-16(39)29(17(40)4-10)55-34-27(47)24(44)25(45)30(56-34)31(48)49/h1-6,19-20,22-28,30,33-47H,7-8H2,(H,48,49)/t19-,20-,22-,23+,24+,25+,26-,27-,28-,30+,33-,34-/m1/s1
InChIKeyMEJVQGMMZHEGNA-GIVLKYJESA-N
ChEBI Ontology
Outgoing Relation(s)
(-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide (CHEBI:176322) is a catechin (CHEBI:23053)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[2,6-dihydroxy-4-[[(2R,3R)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxycarbonyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30777623ChemSpider
HMDB0041730HMDB