| Name |
Amaranthussaponin IV |
| Formula |
C47H70O20 |
| Mw |
954.44604468 |
| CAS RN |
139742-12-4 |
| C_ID |
C00054788
|
| InChIKey |
LDBTUYKNDDNDJO-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C47H70O20/c1-19-9-12-47(42(61)67-40-32(56)30(54)28(52)24(17-48)63-40)14-13-45(5)21(22(47)15-19)7-8-26-43(3)16-23(50)37(44(4,18-49)25(43)10-11-46(26,45)6)66-41-34(58)35(33(57)36(65-41)38(59)60)64-39-31(55)29(53)27(51)20(2)62-39/h7,18,20,22-37,39-41,48,50-58H,1,8-17H2,2-6H3,(H,59,60) |
| 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=O)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., 1991, 39, 2609 (Amaranthussaponin IV) |
|---|
|
