| Name |
Saniculasaponin IX |
| Formula |
C41H62O13 |
| Mw |
762.41904207 |
| CAS RN |
675830-93-0 |
| C_ID |
C00043889
, 
|
| InChIKey |
QQUSWVBCBCUJSZ-XBGBVQBXNA-N |
| InChICode |
InChI=1S/C41H62O13/c1-9-19(2)34(50)54-32-31-37(5,17-42)16-21-20-10-11-23-38(6)14-13-24(51-35-27(46)25(44)26(45)28(52-35)33(48)49)36(3,4)22(38)12-15-39(23,7)40(20,8)29(47)30(53-31)41(21,32)18-43/h9-10,21-32,35,42-47H,11-18H2,1-8H3,(H,48,49)/b19-9-/t21-,22-,23+,24+,25-,26-,27+,28-,29-,30+,31+,32-,35+,37-,38-,39+,40-,41-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H]2O[C@@H]3[C@H](O)[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H](C[C@@]2(C)CO)[C@@]31CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Sanicula elata var.chinensis Makino  | Ref. |
|
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