input word = C00009352

Metabolite InformationStructural formula
Name Theaflagallin
Formula C20H16O9
Mw 400.07943211
CAS RN 102208-15-1
C_ID C00009352 ,
InChIKey KOXRJHMEFYNYME-CDESSEEXNA-N
InChICode InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)/t14-,20+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1cc(c(=O)c2c(c1)cc(c(c2O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
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