| Name |
Theaflavate A |
| Formula |
C43H32O19 |
| Mw |
852.15377884 |
| CAS RN |
152542-70-6 |
| C_ID |
C00057917
|
| InChIKey |
CTVQUVJPFDHBIP-NBNGAXDASA-N |
| InChICode |
InChI=1S/C43H32O19/c44-18-8-25(47)22-13-34(40(59-32(22)10-18)15-1-2-24(46)27(49)4-15)61-42(57)16-3-20-21(12-31(53)39(56)36(20)38(55)30(52)5-16)41-35(14-23-26(48)9-19(45)11-33(23)60-41)62-43(58)17-6-28(50)37(54)29(51)7-17/h1-12,34-35,40-41,44-51,53-54,56H,13-14H2,(H,52,55)/t34-,35-,40-,41-/m1/s1 |
| SMILES |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis |
|---|
| Reference | Wan, X. et al., J. Sci. Food Agric., 1997, 74, 401-408 (isol, pmr, cmr) |
|---|
|
