input word = C00009049

Metabolite InformationStructural formula
Name Cassiaflavan-(4alpha->6)-epiafzelechin
Formula C30H26O8
Mw 514.16276781
CAS RN 114715-51-4
C_ID C00009049 ,
InChIKey NAEUCFKPKZDATB-HPMBMHTCNA-N
InChICode InChI=1S/C30H26O8/c31-17-5-1-15(2-6-17)25-13-21(20-10-9-19(33)11-26(20)37-25)28-23(34)14-27-22(29(28)36)12-24(35)30(38-27)16-3-7-18(32)8-4-16/h1-11,14,21,24-25,30-36H,12-13H2/t21-,24-,25+,30-/m1/s1
SMILES Oc1ccc([C@@H]2C[C@H](c3c(O)cc4c(c3O)C[C@@H](O)[C@@H](c3ccc(O)cc3)O4)c3ccc(O)cc3O2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
zoom in