input word = C00009210

Metabolite InformationStructural formula
Name Catechin-(4alpha->8)-epicatechin-3-O-gallate
Formula C37H30O16
Mw 730.15338491
CAS RN 89064-33-5
C_ID C00009210 ,
InChIKey VLFKNLZNDSEVBZ-KVRFJACTNA-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 O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaePolygonaceaeRheum sp. Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismRheum sp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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