input word = C00009263

Metabolite InformationStructural formula
Name Epiafzelechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-epiafzelechin
Formula C45H36O15
Mw 816.20542048
CAS RN 130918-25-1
C_ID C00009263 ,
InChIKey PMDYNLFGCCRGRX-LYUZXYPXNA-N
InChICode InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/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)cc5)(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