| Name |
Theaflavin 3'-gallate 3-(3-O-methylgallate) |
| Formula |
C44H34O20 |
| Mw |
882.16434353 |
| CAS RN |
951775-29-4 |
| C_ID |
C00058283
|
| InChIKey |
FQXKSGFYFITSPQ-WLDZFSAMSA-N |
| InChICode |
InChI=1S/C44H34O20/c1-60-33-7-17(6-28(51)38(33)55)44(59)63-34-13-22-24(47)8-18(45)10-31(22)61-41(34)15-2-20-21(12-30(53)40(57)36(20)39(56)29(52)3-15)42-35(14-23-25(48)9-19(46)11-32(23)62-42)64-43(58)16-4-26(49)37(54)27(50)5-16/h2-12,34-35,41-42,45-51,53-55,57H,13-14H2,1H3,(H,52,56)/t34-,35-,41-,42-/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]4OC(=O)c4cc(O)c(O)c(O)c4)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) |
|---|
|
