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 O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus salviifolius Ref.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeFabaceaeStryphnodendron adstringens Ref.
PlantaeMyricaceaeMyrica esculenta Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
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OrganismPhyllanthus emblica
Referencehttps://doi.org/10.1021/np010370g