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 c1(cc(c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(cc(c2c1O[C@@H]([C@@H]([C@H]2c1c(c2c(cc1O)O[C@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
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.
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OrganismRhaphiolepis umbellata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Ezaki-Furuichi,Agric.Biol.Chem.,50,(1986),2061