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 Oc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)[C@H]5c4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)O2)[C@H]3O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
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