| Name |
Simplexoside |
| Formula |
C26H30O11 |
| Mw |
518.1788118 |
| CAS RN |
74061-78-2 |
| C_ID |
C00002628
, 
|
| InChIKey |
USVLFVSHBLNSOC-XOZWWHMGNA-N |
| InChICode |
InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20+,21+,22+,23-,24+,25+,26+/m0/s1 |
| SMILES |
[C@@H]12[C@@H]([C@H](OC1)c1cc(c(cc1)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)OC)CO[C@@H]2c1cc2c(cc1)OCO2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Acanthaceae | Justicia simplex | Ref. |
|
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