| Name |
Fistulosaponin B |
| Formula |
C51H82O23 |
| Mw |
1062.52468893 |
| CAS RN |
1233486-76-4 |
| C_ID |
C00056693
|
| InChIKey |
WHGHRHMITMISMP-QVPCHZQASA-N |
| InChICode |
InChI=1S/C51H82O23/c1-19(18-66-45-39(61)38(60)35(57)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(73-47-41(63)37(59)34(56)22(4)68-47)42(64)43(31(17-53)71-48)72-46-40(62)36(58)33(55)21(3)67-46/h7,19-22,24-26,28-48,52-53,55-65H,8-18H2,1-6H3/t19-,20?,21+,22+,24-,25+,26+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1 |
| SMILES |
CC1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]1(O)CC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium fistulosum  | Ref. |
|
|
zoom in
| Organism | Allium fistulosum |
|---|
| Reference | Lai, W. et al., J. Nat. Prod., 2010, 73, 1053-1057 (Fistulosaponins B,C,D,F) |
|---|
|
