input word = C00008888

Metabolite InformationStructural formula
Name Epigallocatechin 3,3',-di-O-gallate
Formula C29H22O15
Mw 610.09587004
CAS RN 89013-66-1
C_ID C00008888 ,
InChIKey LGGSDHMXURUIDJ-AACMFKIINA-N
InChICode InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(44-29(41)12-4-18(34)25(38)19(35)5-12)27(42-21(14)8-13)10-1-20(36)26(39)22(6-10)43-28(40)11-2-16(32)24(37)17(33)3-11/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)OC(=O)c1cc(c(c(c1)O)O)O)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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