input word = C00013272

Metabolite InformationStructural formula
Name Cassiaflavan-(4alpha->8)-epicatechin
Formula C30H26O9
Mw 530.15768243
CAS RN 274682-28-9
C_ID C00013272 ,
InChIKey GCVNGQJQSJJVPP-UOHKUDTJNA-N
InChICode InChI=1S/C30H26O9/c31-16-4-1-14(2-5-16)26-12-19(18-7-6-17(32)10-27(18)38-26)28-24(36)13-22(34)20-11-25(37)29(39-30(20)28)15-3-8-21(33)23(35)9-15/h1-10,13,19,25-26,29,31-37H,11-12H2/t19-,25+,26-,29+/m0/s1
SMILES Oc1ccc([C@@H]2CC(c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)c3ccc(O)cc3O2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia petersiana Ref.
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