input word = C00008870

Metabolite InformationStructural formula
Name Epicatechin 3-O-(4-O-methylgallate)
Formula C23H20O10
Mw 456.10564686
CAS RN 108907-44-4
C_ID C00008870 ,
InChIKey BXDRTHBTGNNTEW-VSVVGSIZNA-N
InChICode InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
SMILES COc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
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