input word = C00009063

Metabolite InformationStructural formula
Name [Epiafzelechin-(4beta->8)]2-epiafzelechin
Formula C45H38O15
Mw 818.22107055
CAS RN 114653-48-4
C_ID C00009063 ,
InChIKey MLOMUXKCFXKQTO-UZWUUNAJNA-N
InChICode InChI=1S/C45H38O15/c46-21-7-1-18(2-8-21)41-31(55)15-25-26(50)16-28(52)34(44(25)59-41)38-36-30(54)17-29(53)35(45(36)60-43(40(38)57)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-32(33)58-42(39(37)56)19-3-9-22(47)10-4-19/h1-14,16-17,31,37-43,46-57H,15H2/t31-,37+,38+,39+,40+,41-,42+,43+/m0/s1
SMILES c12c([C@@H]([C@H]([C@H](O1)c1ccc(cc1)O)O)c1c3c([C@H]([C@H]([C@H](O3)c3ccc(cc3)O)O)c3c4c(C[C@@H]([C@@H](O4)c4ccc(cc4)O)O)c(cc3O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
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OrganismCassia fistula
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Morimoto,Chem.Pharm.Bull.,36,(1988),39

Kashiwada,Chem.Pharm.Bull.,38,(1990),888