| Name |
Ascaloniside A2 |
| Formula |
C45H74O19 |
| Mw |
918.48243018 |
| CAS RN |
628728-07-4 |
| C_ID |
C00044543
, 
|
| InChIKey |
MYVJSVSGFJDUAQ-QXKJITBENA-N |
| InChICode |
InChI=1S/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)61-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(48)13-29(44(21,5)24(23)9-10-43(25,30)4)62-41-38(56)35(53)32(50)27(15-46)60-41/h6,18-20,22-42,46-57H,7-17H2,1-5H3/t18-,19+,20+,22-,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@](O2)(O)CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)C)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium triquetrum  | Ref. |
|
|
zoom in
| Organism | Allium triquetrum |
|---|
| Reference | Corea,J.Nat.Prod.,66,(2003),1405 |
|---|
|
