input word = C00008906

Metabolite InformationStructural formula
Name Epigallocatechin 3-O-caffeate
Formula C24H20O10
Mw 468.10564686
CAS RN 122412-14-0
C_ID C00008906 ,
InChIKey BNLVODKLELGOBT-FSJYIOKBNA-N
InChICode InChI=1S/C24H20O10/c25-13-8-16(27)14-10-21(33-22(31)4-2-11-1-3-15(26)17(28)5-11)24(34-20(14)9-13)12-6-18(29)23(32)19(30)7-12/h1-9,21,24-30,32H,10H2/b4-2+/t21-,24-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)/C=C/c1ccc(c(c1)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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