input word = C00008887

Metabolite InformationStructural formula
Name Epigallocatechin 3,5,-di-O-gallate
Formula C29H22O15
Mw 610.09587004
CAS RN 37484-73-4
C_ID C00008887 ,
InChIKey RKUDRJTZBDEGNP-AACMFKIINA-N
InChICode InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea 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