input word = C00009202

Metabolite InformationStructural formula
Name Catechin-(4alpha->8)-catechin-3-O-beta-D-glucopyranoside
Formula C36H36O17
Mw 740.19524973
CAS RN 118627-69-3
C_ID C00009202 ,
InChIKey IJOGCYCDAZWSPD-HWFVQGIINA-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
PlantaeFagaceaeQuercus marilandica Muenchh. Ref.
PlantaeRosaceaePotentilla viscosa Ref.
zoom in