input word = C00008875

Metabolite InformationStructural formula
Name Epicatechin 3,5-di-O-gallate
Formula C29H22O14
Mw 594.10095541
CAS RN 37484-74-5
C_ID C00008875 ,
InChIKey RHDJFGKNTUPFEZ-RJKANMQXNA-N
InChICode InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-4-18(33)25(37)19(34)5-12)10-24(27(41-22)11-1-2-16(31)17(32)3-11)43-29(40)13-6-20(35)26(38)21(36)7-13/h1-9,24,27,30-38H,10H2/t24-,27-/m1/s1
SMILES O=C(Oc1cc(O)cc2c1C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismCamellia sinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Coxon,Tetrahedron,28,(1972),2819

Hashimoto,Chem.Pharm.Bull.,37,(1989),77