input word = C00008903

Metabolite InformationStructural formula
Name Epigallocatechin 3-O-vanillate
Formula C23H20O10
Mw 456.10564686
CAS RN 173484-93-0
C_ID C00008903 ,
InChIKey ZQUCIEABYDEGHK-MGRUGCKGNA-N
InChICode InChI=1S/C23H20O10/c1-31-19-6-10(2-3-14(19)25)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)11-4-16(27)21(29)17(28)5-11/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]2c2cc(O)c(O)c(O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeStryphnodendron adstringens Ref.
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OrganismStryphnodendron adstringens
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

de Mello,Phytochem.,41,(1996),807