input word = C00009078

Metabolite InformationStructural formula
Name ent-Epicatechin-(4alpha->8)-catechin
Formula C30H26O12
Mw 578.1424263
CAS RN 121842-80-6
C_ID C00009078 ,
InChIKey XFZJEEAOWLFHDH-LSMAQTJUNA-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 c12c([C@H]([C@@H]([C@@H](O1)c1ccc(c(c1)O)O)O)c1c3c(C[C@H]([C@H](O3)c3ccc(c(c3)O)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeMetroxylon sagu Ref.
PlantaePalmaeMetroxylon sagus Ref.
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