input word = C00009283

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-epiafzelechin
Formula C45H36O16
Mw 832.20033511
CAS RN 130918-26-2
C_ID C00009283 ,
InChIKey PUEFGNXBVGZIBL-UMFATKTJNA-N
InChICode InChI=1S/C45H36O16/c46-20-6-1-17(2-7-20)40-30(55)14-23-25(50)15-28(53)34(42(23)58-40)37-35-29(54)16-32-36(43(35)59-41(39(37)56)18-3-8-21(47)9-4-18)38-33-27(52)12-22(48)13-31(33)60-45(61-32,44(38)57)19-5-10-24(49)26(51)11-19/h1-13,15-16,30,37-41,44,46-57H,14H2/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)cc3)[C@H](O)C4)[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