input word = C00009090

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-epicatechin-(4beta->6)-epicatechin
Formula C45H38O18
Mw 866.20581441
CAS RN 88903-74-6
C_ID C00009090 ,
InChIKey PBYRKMXDROOXMU-NPBBBJTQNA-N
InChICode InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42-,43+,44+/m0/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia divaricata Ref.
PlantaeDavalliaceaeDavallia mariesii Ref.
PlantaeRosaceaeCrataegus laevigata Ref.
PlantaeRosaceaeMalus pumila Ref.
PlantaeRosaceaeRhaphiolepis umbellata Ref.
PlantaeVitaceaeVitis vinifera Ref.
zoom in



OrganismMalus pumila
ReferenceShaji,J.Agric.Food Chem.,51,(2003),3806