input word = C00008883

Metabolite InformationStructural formula
Name Epigallocatechin 3-O-(3-O-methylgallate)
Formula C23H20O11
Mw 472.10056148
CAS RN 83104-87-4
C_ID C00008883 ,
InChIKey WVRDOLPMKOCJRJ-DMCKPQHPNA-N
InChICode InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
SMILES COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
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OrganismCamellia sinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Saijo,Agric.Biol.Chem.,46,(1982),1969

Nonaka,Chem.Pharm.Bull.,31,(1983),3906