input word = C00002917

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-ent-epicatechin
Formula C30H26O12
Mw 578.1424263
CAS RN 82262-99-5
C_ID C00002917 ,
InChIKey XFZJEEAOWLFHDH-OTPJXFODNA-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+/m0/s1
SMILES c1(cc2c(c(c1)O)[C@@H]([C@H]([C@H](O2)c1cc(c(cc1)O)O)O)c1c(cc(c2c1O[C@H]([C@H](C2)O)c1cc(c(cc1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
PlantaePalmaeChamaerops humilis Ref.
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