| Name |
Theogallinin |
| Formula |
C36H32O21 |
| Mw |
800.14360809 |
| CAS RN |
144207-58-9 |
| C_ID |
C00009347
, 
|
| InChIKey |
YTEPTVNKATZITA-KSGSRHAXNA-N |
| InChICode |
InChI=1S/C36H32O21/c37-11-3-15(38)12-7-22(56-33(50)10-1-16(39)26(44)17(40)2-10)32(55-21(12)4-11)13-5-18(41)28(46)30(48)24(13)25-14(6-19(42)29(47)31(25)49)34(51)57-23-9-36(54,35(52)53)8-20(43)27(23)45/h1-6,20,22-23,27,32,37-49,54H,7-9H2,(H,52,53)/t20-,22-,23-,27-,32+,36+/m1/s1 |
| SMILES |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c(C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)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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