input word = C00009199

Metabolite InformationStructural formula
Name 3-O-beta-D-Glucosylcatechin-(4alpha->8)-catechin
Formula C36H36O17
Mw 740.19524973
CAS RN 155260-74-5
C_ID C00009199 ,
InChIKey MLAXDMFACGRWAX-BTWGBYEHNA-N
InChICode InChI=1S/C36H36O17/c37-11-25-29(47)30(48)31(49)36(51-25)53-35-28(26-21(44)7-14(38)8-24(26)50-33(35)13-2-4-17(40)20(43)6-13)27-22(45)10-18(41)15-9-23(46)32(52-34(15)27)12-1-3-16(39)19(42)5-12/h1-8,10,23,25,28-33,35-49H,9,11H2/t23-,25-,28+,29+,30-,31-,32-,33-,35+,36+/m1/s1
SMILES c12c(C[C@H]([C@H](O1)c1cc(c(cc1)O)O)O)c(cc(c2[C@@H]1c2c(O[C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)cc(cc2O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus marilandica Ref.
zoom in