input word = C00009205

Metabolite InformationStructural formula
Name 3-O-Galloylepiafzelechin-(4beta->6)-epigallocatechin-3-O-gallate
Formula C44H34O20
Mw 882.16434353
CAS RN 126715-93-3
C_ID C00009205 ,
InChIKey BZQGRVQEWHQYDX-LHHFYSJSNA-N
InChICode InChI=1S/C44H34O20/c45-19-3-1-15(2-4-19)41-42(64-44(60)18-9-28(53)39(58)29(54)10-18)35(33-22(47)11-20(46)12-31(33)62-41)34-23(48)14-30-21(36(34)55)13-32(40(61-30)16-5-24(49)37(56)25(50)6-16)63-43(59)17-7-26(51)38(57)27(52)8-17/h1-12,14,32,35,40-42,45-58H,13H2/t32-,35+,40+,41+,42+/m0/s1
SMILES C1[C@@H]([C@H](Oc2c1c(c(c(c2)O)[C@@H]1[C@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(cc1)O)OC(=O)c1cc(c(c(c1)O)O)O)O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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