| Name |
Officinalisnin I |
| Formula |
C45H76O19 |
| Mw |
920.49808025 |
| CAS RN |
57944-18-0 |
| C_ID |
C00003582
, 
|
| InChIKey |
SORUXVRKWOHYEO-GOSSFOEINA-N |
| InChICode |
InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40-,41+,42+,43+,44+,45-/m1/s1 |
| SMILES |
C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]([C@H]1C)(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)C)C)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asparagaceae | Asparagus officinalis  | Ref. |
|
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