| Name |
Anemarsaponin E1 |
| Formula |
C45H76O20 |
| Mw |
936.49299487 |
| CAS RN |
1276608-19-5 |
| C_ID |
C00059548
|
| InChIKey |
KMPFZNQVETUYHB-LSTPRBAISA-N |
| InChICode |
InChI=1S/C45H76O20/c1-18(17-59-40-36(56)33(53)29(49)24(14-46)61-40)7-12-45(58)19(2)27-38(65-45)32(52)28-22-6-5-20-13-21(8-10-43(20,3)23(22)9-11-44(27,28)4)60-42-39(35(55)31(51)26(16-48)63-42)64-41-37(57)34(54)30(50)25(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19-,20+,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?/m0/s1 |
| SMILES |
CC(CCC1(O)OC2C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Phellodendron amurense  | Ref. |
|
|
zoom in
| Organism | Phellodendron amurense |
|---|
| Reference | https://doi.org/10.1002/jssc.201300794 |
|---|
|
