| 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 |
c1(cc(c(c(c1c1c(cc(c(c1O)O)O)[C@@H]1Oc2c(C[C@H]1OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)O)O)O)O)O)C(=O)O[C@@H]1C[C@](C[C@H]([C@H]1O)O)(O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis var. assamica  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis var. assamica |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins
Hashimoto,Chem.Pharm.Bull.,40,(1992),1383 |
|---|
|
