input word = C00056712

Metabolite InformationStructural formula
Name Epiafzelechin(4beta->8)epicatechin(4beta->8)epicatechin
Formula C45H38O17
Mw 850.21089979
CAS RN 1245386-45-1
C_ID C00056712
InChIKey CUWYYGBRYUJROZ-XILRTYJMSA-N
InChICode InChI=1S/C45H38O17/c46-19-5-1-16(2-6-19)42-39(58)37(33-27(53)11-20(47)12-32(33)60-42)35-29(55)15-30(56)36-38(40(59)43(62-45(35)36)18-4-8-23(49)26(52)10-18)34-28(54)14-24(50)21-13-31(57)41(61-44(21)34)17-3-7-22(48)25(51)9-17/h1-12,14-15,31,37-43,46-59H,13H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1
SMILES Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(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
PlantaePolygonaceaeRumex acetosa Ref.
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