| Name |
Negundoside |
| Formula |
C23H28O12 |
| Mw |
496.15807636 |
| CAS RN |
82451-20-5 |
| C_ID |
C00043759
, 
|
| InChIKey |
RFCSGMIUBXUYSE-DXMGCQKRNA-N |
| InChICode |
InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)9-32-21(15(12)23)35-22-18(17(27)16(26)14(8-24)33-22)34-20(30)10-2-4-11(25)5-3-10/h2-5,9,12,14-18,21-22,24-27,31H,6-8H2,1H3,(H,28,29)/t12-,14-,15-,16+,17+,18-,21+,22+,23+/m1/s1 |
| SMILES |
O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1OC(=O)c1ccc(cc1)O)O)O)CO)[C@@](CC2)(C)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Vitex altissima | Ref. |
| Plantae | Labiatae | Vitex negundo  | Ref. |
|
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