input word = C00009231

Metabolite InformationStructural formula
Name 3-O-Galloylepigallocatechin-(4beta->8)-catechin
Formula C37H30O17
Mw 746.14829954
CAS RN 110081-90-8
C_ID C00009231 ,
InChIKey ASOODBVVZLZXTM-ULAGZHBNNA-N
InChICode InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2/t26-,30-,33-,34-,36-/m1/s1
SMILES [C@H]1([C@H]([C@H](Oc2c1c(cc(c2)O)O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus dentata Ref.
zoom in