input word = C00008886

Metabolite InformationStructural formula
Name Gallocatechin 3'-O-gallate
Formula C22H18O11
Mw 458.08491142
CAS RN 142784-33-6
C_ID C00008886 ,
InChIKey CCCILYAHJRZUQN-COYGZYMINA-N
InChICode InChI=1S/C22H18O11/c23-10-5-12(24)11-7-16(28)21(32-17(11)6-10)8-1-15(27)20(30)18(4-8)33-22(31)9-2-13(25)19(29)14(26)3-9/h1-6,16,21,23-30H,7H2/t16-,21+/m0/s1
SMILES O=C(Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc(O)c1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
--Pithecolobium lobatum Ref.
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OrganismCamellia sinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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

Lee,Phytochem.,31,(1992),2117