input word = C00009064

Metabolite InformationStructural formula
Name [Epiafzelechin-(4beta->8)]2-4'-O-methyl-epigallocatechin
Formula C46H40O17
Mw 864.22654986
CAS RN 151455-24-2
C_ID C00009064 ,
InChIKey QKCQZHCKCYRFJX-UZWUUNAJNA-N
InChICode InChI=1S/C46H40O17/c1-60-45-29(55)10-19(11-30(45)56)41-31(57)14-23-24(50)15-26(52)34(44(23)62-41)38-36-28(54)16-27(53)35(46(36)63-43(40(38)59)18-4-8-21(48)9-5-18)37-33-25(51)12-22(49)13-32(33)61-42(39(37)58)17-2-6-20(47)7-3-17/h2-13,15-16,31,37-43,47-59H,14H2,1H3/t31-,37-,38-,39-,40-,41-,42-,43-/m1/s1
SMILES c12c([C@@H]([C@H]([C@H](O1)c1ccc(cc1)O)O)c1c3c([C@H]([C@H]([C@H](O3)c3ccc(cc3)O)O)c3c4c(C[C@H]([C@H](O4)c4cc(c(c(c4)O)OC)O)O)c(cc3O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythropalaceaeHeisteria pallida Ref.
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