input word = C00009212

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-epicatechin-3-O-gallate
Formula C37H30O16
Mw 730.15338491
CAS RN 73086-04-1
C_ID C00009212 ,
InChIKey VLFKNLZNDSEVBZ-IQHLXELJNA-N
InChICode InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31+,33+,34+,35+/m0/s1
SMILES [C@H]1([C@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)O)c1c(cc(c2c1O[C@@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron sp. Ref.
PlantaePolygonaceaeFagopyrum esculentum Ref.
PlantaePolygonaceaeRheum sp. Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
zoom in



OrganismCamellia sinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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

Czochanska,Phytochem.,18,(1979),1819