input word = C00009080

Metabolite InformationStructural formula
Name ent-Epicatechin-(4alpha->8)-ent-epicatechin
Formula C30H26O12
Mw 578.1424263
CAS RN 88314-64-1
C_ID C00009080 ,
InChIKey XFZJEEAOWLFHDH-ZPNYQRGRNA-N
InChICode InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m1/s1
SMILES Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
PlantaeMalpighiaceaeByrsonima crassifolia Ref.
PlantaePalmaeChamaerops humilis Ref.
PlantaePalmaeMetroxylon sagu Ref.
zoom in