input word = C00009294

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epigallocatechin
Formula C45H36O19
Mw 880.18507897
CAS RN 130918-31-9
C_ID C00009294 ,
InChIKey DCHJAESNEKXDBL-BMYLTVIVNA-N
InChICode InChI=1S/C45H36O19/c46-17-9-24(52)32-30(10-17)63-45(16-2-4-20(48)23(51)8-16)44(60)37(32)35-31(64-45)13-26(54)34-36(39(59)41(62-43(34)35)14-1-3-19(47)22(50)5-14)33-25(53)12-21(49)18-11-29(57)40(61-42(18)33)15-6-27(55)38(58)28(56)7-15/h1-10,12-13,29,36-37,39-41,44,46-60H,11H2/t29-,36-,37-,39-,40-,41-,44-,45+/m1/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H]([C@@H]1c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(c(c1)O)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
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