input word = C00008896

Metabolite InformationStructural formula
Name Epicatechin 3-O-p-hydroxybenzoate
Formula C22H18O8
Mw 410.10016755
CAS RN 108907-45-5
C_ID C00008896 ,
InChIKey HRNWMQFQEGGZKA-VSVVGSIZNA-N
InChICode InChI=1S/C22H18O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,23-27H,10H2/t20-,21-/m1/s1
SMILES O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
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OrganismCamellia sinensis var. assamica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hashimoto,Chem.Pharm.Bull.,35,(1987),611