input word = C00009315

Metabolite InformationStructural formula
Name Epigallocatechin-(2beta->7,4beta->8)-epigallocatechin-3-O-gallate
Formula C37H28O18
Mw 760.12756409
CAS RN 126715-94-4
C_ID C00009315 ,
InChIKey WXQMTHFXSUBUEQ-OYJPUEFUNA-N
InChICode InChI=1S/C37H28O18/c38-14-7-17(40)27-24(8-14)54-37(13-5-22(45)32(49)23(46)6-13)35(50)29(27)28-25(55-37)10-16(39)15-9-26(52-36(51)12-3-20(43)31(48)21(44)4-12)33(53-34(15)28)11-1-18(41)30(47)19(42)2-11/h1-8,10,26,29,33,35,38-50H,9H2/t26-,29+,33+,35+,37-/m0/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@H](C1)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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