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 c12c(C[C@@H]([C@@H](O1)c1ccc(c(c1)O)O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)c(cc(c2[C@H]1c2c(O[C@@H]([C@@H]1O)c1ccc(c(c1)O)O)cc(cc2O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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