input word = C00009284

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-epicatechin
Formula C45H36O17
Mw 848.19524973
CAS RN 130918-29-5
C_ID C00009284 ,
InChIKey VHLRMFIKYQEKRY-LYUZXYPXNA-N
InChICode InChI=1S/C45H36O17/c46-19-5-1-16(2-6-19)41-39(57)37(34-28(54)14-24(50)21-13-30(56)40(59-42(21)34)17-3-7-22(48)25(51)9-17)35-29(55)15-32-36(43(35)60-41)38-33-27(53)11-20(47)12-31(33)61-45(62-32,44(38)58)18-4-8-23(49)26(52)10-18/h1-12,14-15,30,37-41,44,46-58H,13H2/t30-,37-,38-,39-,40-,41-,44-,45+/m1/s1
SMILES Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)c(O)c5)(O4)[C@@H]3O)[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
PlantaePolygonaceaeRumex acetosa Ref.
zoom in



OrganismDicranopteris pedata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Kashiwada,Chem.Pharm.Bull.,38,(1990),856