input word = C00009237

Metabolite InformationStructural formula
Name Gallocatechin-(4alpha->8)-epigallocatechin-3-O-gallate
Formula C37H30O18
Mw 762.14321416
CAS RN 126786-49-0
C_ID C00009237 ,
InChIKey JSBXKZFDEDBAQA-KJBAMBTLNA-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+/m0/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
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeFabaceaeStryphnodendron adstringens Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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