input word = C00009284

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-epicatechin
Formula C45H36O17
Mw 848.19524973
CAS RN 130918-29-5
C_ID C00009284 ,
InChIKey VHLRMFIKYQEKRY-LYUZXYPXNA-N
InChICode InChI=1S/C45H36O17/c46-19-5-1-16(2-6-19)41-39(57)37(34-28(54)14-24(50)21-13-30(56)40(59-42(21)34)17-3-7-22(48)25(51)9-17)35-29(55)15-32-36(43(35)60-41)38-33-27(53)11-20(47)12-31(33)61-45(62-32,44(38)58)18-4-8-23(49)26(52)10-18/h1-12,14-15,30,37-41,44,46-58H,13H2/t30-,37-,38-,39-,40-,41-,44-,45+/m1/s1
SMILES Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)c(O)c5)(O4)[C@@H]3O)[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
PlantaePolygonaceaeRumex acetosa Ref.
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