| Name |
Theaflavonin |
| Formula |
C43H36O24 |
| Mw |
936.15965208 |
| CAS RN |
144207-59-0 |
| C_ID |
C00008921
, 
|
| InChIKey |
LUYANQLLUZLLRS-KRFOBKLPNA-N |
| InChICode |
InChI=1S/C43H36O24/c44-10-26-33(56)37(60)38(61)43(66-26)67-41-36(59)29-18(48)4-13(46)6-24(29)64-40(41)16-8-22(52)32(55)35(58)28(16)27-15(7-21(51)31(54)34(27)57)39-25(9-14-17(47)3-12(45)5-23(14)63-39)65-42(62)11-1-19(49)30(53)20(50)2-11/h1-8,25-26,33,37-39,43-58,60-61H,9-10H2/t25-,26-,33-,37+,38-,39-,43+/m1/s1 |
| SMILES |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis var. assamica  | Ref. |
|
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