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 [C@@H]1([C@@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)O)c1c(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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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