| Name |
Ajugose |
| Formula |
C36H62O31 |
| Mw |
990.32750527 |
| CAS RN |
512-72-1 |
| C_ID |
C00001133
, 
|
| InChIKey |
NCIHJQNXRKJRMJ-XLSNFPQFNA-N |
| InChICode |
InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9+,10+,11-,12-,13-,14-,15-,16-,17-,18+,19+,20?,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1 |
| SMILES |
OCC1O[C@H](OCC2O[C@H](OCC3O[C@H](OCC4O[C@H](OCC5O[C@H](O[C@]6(CO)O[C@H](CO)C(O)[C@H]6O)C(O)[C@@H](O)[C@@H]5O)C(O)[C@@H](O)[C@H]4O)C(O)[C@@H](O)[C@H]3O)C(O)[C@@H](O)[C@H]2O)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Vicia sativa  | Ref. |
| Plantae | Labiatae | Ajuga nipponensis | Ref. |
| Plantae | Scrophulariaceae | Verbascum thapsiforme | Ref. |
|
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