input word = C00009238

Metabolite InformationStructural formula
Name Epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate
Formula C37H30O18
Mw 762.14321416
CAS RN 86588-88-7
C_ID C00009238 ,
InChIKey JSBXKZFDEDBAQA-DRGKFGJSNA-N
InChICode InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1
SMILES c1(c(cc(c2c1O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O)[C@H]1c2c(cc(cc2O[C@@H]([C@@H]1O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus salviifolius Ref.
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeFabaceaeStryphnodendron adstringens Ref.
PlantaeMyricaceaeMyrica esculenta Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
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