input word = C00009051

Metabolite InformationStructural formula
Name Cassiaflavan-(4beta->8)-epiafzelechin-(4beta->8)-epiafzelechin
Formula C45H38O13
Mw 786.2312413
CAS RN
C_ID C00009051 ,
InChIKey FENTTYNAYLMXDB-KWPCWAJKNA-N
InChICode InChI=1S/C45H38O13/c46-23-7-1-20(2-8-23)35-17-28(27-14-13-26(49)15-36(27)56-35)37-31(51)19-33(53)39-40(41(55)43(58-45(37)39)22-5-11-25(48)12-6-22)38-32(52)18-30(50)29-16-34(54)42(57-44(29)38)21-3-9-24(47)10-4-21/h1-15,18-19,28,34-35,40-43,46-55H,16-17H2/t28-,34-,35-,40-,41-,42-,43-/m1/s1
SMILES Oc1ccc([C@@H]2C[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)cc3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)cc3)[C@H](O)C4)c3ccc(O)cc3O2)cc1
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