input word = C00009265

Metabolite InformationStructural formula
Name Epiafzelechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin
Formula C45H36O17
Mw 848.19524973
CAS RN 130918-28-4
C_ID C00009265 ,
InChIKey BSFAVGGIMHAZSS-LYUZXYPXNA-N
InChICode InChI=1S/C45H36O17/c46-19-5-3-18(4-6-19)45-44(58)38(33-27(53)11-20(47)12-31(33)61-45)36-32(62-45)15-29(55)35-37(39(57)41(60-43(35)36)17-2-8-23(49)26(52)10-17)34-28(54)14-24(50)21-13-30(56)40(59-42(21)34)16-1-7-22(48)25(51)9-16/h1-12,14-15,30,37-41,44,46-58H,13H2/t30-,37+,38+,39+,40-,41+,44+,45-/m0/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(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
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