input word = C00008869

Metabolite InformationStructural formula
Name Epicatechin 3-O-(3-O-methylgallate)
Formula C23H20O10
Mw 456.10564686
CAS RN 83104-86-3
C_ID C00008869 ,
InChIKey XGTBMCGGGJLOPS-MGRUGCKGNA-N
InChICode InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
SMILES COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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