| Name |
Betavulgaroside X |
| Formula |
C46H72O17 |
| Mw |
896.47695088 |
| CAS RN |
219805-92-2 |
| C_ID |
C00053930
|
| InChIKey |
MVYMIZFWKRAWJX-FLFUNVBBSA-N |
| InChICode |
InChI=1S/C46H72O17/c1-20-7-8-21-22(15-20)24-9-10-29-44(4)13-12-30(61-42-37(56)38(33(52)27(18-48)60-42)62-40-35(54)31(50)25(49)19-58-40)43(2,3)28(44)11-14-45(29,5)46(24,6)16-23(21)39(57)63-41-36(55)34(53)32(51)26(17-47)59-41/h9,21-23,25-38,40-42,47-56H,1,7-8,10-19H2,2-6H3/t21?,22-,23+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,40+,41+,42+,44+,45-,46-/m1/s1 |
| SMILES |
OC[C@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@H]1OC([C@@H]2C(CCC(C3)=C)[C@]3([H])C4=CC[C@@]([C@](CC[C@H](O[C@H]5[C@H](O)[C@@H](O[C@H](OC[C@@H](O)[C@@H]6O)[C@@H]6O)[C@H](O)[C@@H](CO)O5)C7(C)C)(C)[C@@]7([H])CC8)([H])[C@]8(C)[C@]4(C)C2)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Beta vulgaris  | Ref. |
|
|
zoom in
| Organism | Beta vulgaris |
|---|
| Reference | Ahmad, V.U. et al., J. Nat. Prod., 1986, 49, 784-786 (Guaianin) |
|---|
|
