| Name |
Spinasaponin A |
| Formula |
C42H66O14 |
| Mw |
794.44525682 |
| CAS RN |
25406-56-8 |
| C_ID |
C00003554
, 
|
| InChIKey |
BQPYEFAVIPEQIK-XBKIEBPBNA-N |
| InChICode |
InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,34-,35-,39-,40+,41+,42-/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Aralia elata  | Ref. |
| Plantae | Chenopodiaceae | Spinacia oleracea | Ref. |
|
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