| Name |
Ligularizine
12-Epipetasitenine acetate
O-Acetyl-12-epifukinotoxin |
| Formula |
C21H29NO8 |
| Mw |
423.18931691 |
| CAS RN |
90364-92-4 |
| C_ID |
C00026213
, 
|
| InChIKey |
RNNVXCSFOWGBQP-KTAHTJDJNA-N |
| InChICode |
InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21-/m1/s1 |
| SMILES |
CC(=O)O[C@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@]3(C[C@H]1C)O[C@@H]3C)C2=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg L-Ala L-Asp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Ligularia dentata Hara | Ref. |
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