| Name |
Tomatine |
| Formula |
C50H83NO21 |
| Mw |
1033.54575872 |
| CAS RN |
17406-45-0 |
| C_ID |
C00002268
, 
|
| InChIKey |
REJLGAUYTKNVJM-PLZJWIHFNA-N |
| InChICode |
InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,50-/m0/s1 |
| SMILES |
[C@H]1(O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2CO)O[C@@H]2C[C@H]3[C@](CC2)([C@@H]2[C@@H](CC3)[C@H]3[C@](CC2)([C@@H]2[C@H](C3)O[C@]3([C@H]2C)CC[C@@H](CN3)C)C)C)O)O)[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg Cholesterol |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Solanum lycopersicum  | Ref. |
| Plantae | Solanaceae | Solanum peruvianum | Ref. |
| Plantae | Solanaceae | Solanum peruvianum var.chutatum. | Ref. |
| Plantae | Solanaceae | Solanum putatu | Ref. |
| Plantae | Solanaceae | Solanum spp. | Ref. |
|
|
zoom in
| Organism | Solanum lycopersicum |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter29 |
|---|
|
