input word = C00009218

Metabolite InformationStructural formula
Name Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Formula C37H30O17
Mw 746.14829954
CAS RN 126786-48-9
C_ID C00009218 ,
InChIKey BUOLDWJIICQRBU-UAPJZYDZNA-N
InChICode InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(12-1-2-17(39)19(41)3-12)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)13-4-22(44)31(48)23(45)5-13/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30+,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](c4ccc(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
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
zoom in