input word = C00009285

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epiacatechin-(4beta->8)-epiafzelechin
Formula C45H36O17
Mw 848.19524973
CAS RN 130918-30-8
C_ID C00009285 ,
InChIKey KXGSVBXVNPUCCM-LYUZXYPXNA-N
InChICode InChI=1S/C45H36O17/c46-19-5-1-16(2-6-19)40-30(56)13-21-24(50)14-28(54)34(42(21)59-40)37-35-29(55)15-32-36(43(35)60-41(39(37)57)17-3-7-22(48)25(51)9-17)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)cc(O)c3[C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)c(O)c4)(O5)[C@@H]3O)C[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
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OrganismDicranopteris pedata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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