input word = C00008902

Metabolite InformationStructural formula
Name Epigallocatechin 3-O-(4-hydroxybenzoate)
Formula C22H18O9
Mw 426.09508217
CAS RN 159390-94-0
C_ID C00008902 ,
InChIKey KRGDXHCBNLBSJP-VCZXBEBONA-N
InChICode InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1
SMILES O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus salviifolius Ref.
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OrganismCistus salviifolius
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Danne,Phytochem.,37,(1994),533