| Name |
Amaranthussaponin III |
| Formula |
C47H72O19 |
| Mw |
940.46678012 |
| CAS RN |
139742-11-3 |
| C_ID |
C00054789
|
| InChIKey |
TZCDWUQFJLHHQX-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C47H72O19/c1-19-10-13-47(42(60)66-40-32(55)30(53)28(51)24(18-48)62-40)15-14-45(6)21(22(47)16-19)8-9-26-44(5)17-23(49)37(43(3,4)25(44)11-12-46(26,45)7)65-41-34(57)35(33(56)36(64-41)38(58)59)63-39-31(54)29(52)27(50)20(2)61-39/h8,20,22-37,39-41,48-57H,1,9-18H2,2-7H3,(H,58,59) |
| SMILES |
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(OC7OC(C)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Amaranthaceae | Amaranthus hypochondriacus  | Ref. |
|
|
zoom in
| Organism | Amaranthus hypochondriacus |
|---|
| Reference | Kohda, H. et al., Chem. Pharm. Bull., 1995, 39, 2609 (Amaranthussaponin III) |
|---|
|
