| Name |
Secaloside A |
| Formula |
C46H51NO24 |
| Mw |
1001.28010157 |
| CAS RN |
188834-49-3 |
| C_ID |
C00057182
|
| InChIKey |
YKJNAQAMDVTTGV-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C46H51NO24/c1-63-24-8-16(6-7-22(24)50)30-19-10-25(66-44-38(58)37(57)34(54)27(68-44)13-64-29(52)11-20-17-4-2-3-5-21(17)47-41(20)60)23(51)9-18(19)31-32(30)42(61)65-14-28-35(55)40(69-43(31)62)46(15-49,70-28)71-45-39(59)36(56)33(53)26(12-48)67-45/h2-10,20,26-28,30-40,44-45,48-51,53-59H,11-15H2,1H3,(H,47,60) |
| SMILES |
O=C1NC2=CC=CC=C2C1CC(OCC3C(O)C(O)C(O)C(OC4=CC(C(C5=CC(OC)=C(O)C=C5)C(C(OCC6OC(OC7OC(CO)C(O)C(O)C7O)(CO)C(C6O)O8)=O)C9C8=O)=C9C=C4O)O3)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Secale cereale  | Ref. |
|
|
zoom in
| Organism | Secale cereale |
|---|
| Reference | Jaton, J.-C. et al., J. Nat. Prod., 1997, 60, 356-360
361-365 |
|---|
|
