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 OCC1O[C@@H](O[C@H]2[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@H](O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus marilandica Ref.
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