| Name |
Aconine |
| Formula |
C25H41NO9 |
| Mw |
499.27813192 |
| CAS RN |
509-20-6 |
| C_ID |
C00052179
|
| InChIKey |
SQMGCPHFHQGPIF-ZWGPATBTSA-N |
| InChICode |
InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14-,15+,16+,17-,18?,19-,20+,21+,22+,23-,24+,25-/m1/s1 |
| SMILES |
O[C@@]1([C@H]2O)[C@]3([H])C4N(CC)C[C@@]([C@@H]5O)(COC)[C@]([C@H]3OC)([H])[C@@]4([C@H](C5)OC)C(C[C@@]6([C@H]2OC)O)[C@]1([H])[C@H]6O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum napellus  | Ref. |
|
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