input word = C00009068

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-epiafzelechin
Formula C30H26O11
Mw 562.14751167
CAS RN 98104-38-2
C_ID C00009068 ,
InChIKey MTCFYYIJIXJCPF-ZPNYQRGRNA-N
InChICode InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28-,29-/m1/s1
SMILES c12c([C@@H]([C@H]([C@H](O1)c1ccc(c(c1)O)O)O)c1c3c(C[C@H]([C@H](O3)c3ccc(cc3)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
PlantaeFabaceaeSaraca asoca Ref.
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OrganismCassia fistula
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Middelkoop,Z.Naturforsch.B.,40,(1985),855

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