| Name |
Ballotinone
7-Oxomarrubiin |
| Formula |
C20H26O5 |
| Mw |
346.17802394 |
| CAS RN |
61289-05-2 |
| C_ID |
C00022391
, 
|
| InChIKey |
XOYLONZCXCRVKZ-QSALZUPANA-N |
| InChICode |
InChI=1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1 |
| SMILES |
C[C@@H]1C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ballota nigra  | Ref. |
|
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