| Name |
Theaflavin 3-(3-O-methylgallate) |
| Formula |
C37H30O16 |
| Mw |
730.15338491 |
| CAS RN |
951755-38-7 |
| C_ID |
C00058282
|
| InChIKey |
MDDGEHALJUZWLJ-VVXGFMLMSA-N |
| InChICode |
InChI=1S/C37H30O16/c1-50-29-5-14(4-23(42)32(29)46)37(49)53-30-12-20-22(41)7-16(39)9-28(20)51-35(30)13-2-17-18(10-25(44)34(48)31(17)33(47)24(43)3-13)36-26(45)11-19-21(40)6-15(38)8-27(19)52-36/h2-10,26,30,35-36,38-42,44-46,48H,11-12H2,1H3,(H,43,47)/t26-,30-,35-,36-/m1/s1 |
| SMILES |
COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(=O)c3c(O)c(O)cc([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)c3c2)cc(O)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis |
|---|
| Reference | Roberts, E.A.H. et al., J. Sci. Food Agric., 1957, 8, 72
1958, 9, 212
1958, 9, 217
1959, 10, 167
172 (isol) |
|---|
|
