Name |
3-O-Galloylepicatechin-(4beta->8)-epicatechin |
Formula |
C37H30O16 |
Mw |
730.15338491 |
CAS RN |
109280-47-9 |
C_ID |
C00009208
,
|
InChIKey |
BXWABJPTCUDBMM-TVMILSLQNA-N |
InChICode |
InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31+,33-,34+,36+/m0/s1 |
SMILES |
[C@H]1([C@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)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 |
Plantae | Fagaceae | Quercus falcata | Ref. |
Plantae | Vitaceae | Vitis vinifera | Ref. |
|
|
zoom in
|