input word = C00009204

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-epicatechin-3-O-glucoside
Formula C36H36O17
Mw 740.19524973
CAS RN 96820-32-5
C_ID C00009204 ,
InChIKey IJOGCYCDAZWSPD-YKAJFRCINA-N
InChICode InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)51-24-9-15-18(41)10-22(45)27(35(15)53-33(24)12-1-3-16(39)19(42)5-12)28-26-21(44)7-14(38)8-23(26)50-34(30(28)47)13-2-4-17(40)20(43)6-13/h1-8,10,24-25,28-34,36-49H,9,11H2/t24-,25+,28+,29-,30+,31+,32+,33-,34+,36-/m0/s1
SMILES OCC1O[C@@H](O[C@@H]2Cc3c(O)cc(O)c([C@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@@H]4O)c3O[C@@H]2c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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