input word = C00008904

Metabolite InformationStructural formula
Name Epigallocatechin 3-O-cinnamate
Formula C24H20O8
Mw 436.11581762
CAS RN 108907-46-6
C_ID C00008904 ,
InChIKey GQGIIUWXMCBYIJ-YQGGSFTPNA-N
InChICode InChI=1S/C24H20O8/c25-15-10-17(26)16-12-21(31-22(29)7-6-13-4-2-1-3-5-13)24(32-20(16)11-15)14-8-18(27)23(30)19(28)9-14/h1-11,21,24-28,30H,12H2/b7-6+/t21-,24-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)/C=C/c1ccccc1)c1cc(c(c(c1)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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