| Name |
Allobetonicoside |
| Formula |
C21H30O14 |
| Mw |
506.16355567 |
| CAS RN |
128581-46-4 |
| C_ID |
C00010476
, 
|
| InChIKey |
VIEGIQFDBMKKSH-YQEYJIBCNA-N |
| InChICode |
InChI=1S/C21H30O14/c1-7-4-10(24)21(35-20-17(30)15(28)13(26)9(6-23)33-20)2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)8(5-22)32-19/h2-4,8-9,11-20,22-23,25-30H,5-6H2,1H3/t8-,9-,11+,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1 |
| SMILES |
CC1=CC(=O)[C@]2(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)C=CO[C@@H](O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lamiaceae | Betonica officinalis  | Ref. |
|
|
zoom in
|
