input word = C00009069

Metabolite InformationStructural formula
Name ent-Epicatechin-(4alpha->8)-epiafzelechin
Formula C30H26O11
Mw 562.14751167
CAS RN 130982-00-2
C_ID C00009069 ,
InChIKey MTCFYYIJIXJCPF-OTPJXFODNA-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-/m0/s1
SMILES Oc1ccc([C@H]2Oc3c(c(O)cc(O)c3[C@@H]3c4c(O)cc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@H]3O)C[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
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