| Name |
Marrubiin |
| Formula |
C20H28O4 |
| Mw |
332.19875938 |
| CAS RN |
465-92-9 |
| C_ID |
C00003452
, 
|
| InChIKey |
HQLLRHCTVDVUJB-HODPRWLVNA-N |
| InChICode |
InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 |
| SMILES |
C[C@@H]1C[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 | Marrubium cylleneum | Ref. |
| Plantae | Labiatae | Marrubium globosum ssp. globosum | Ref. |
| Plantae | Labiatae | Marrubium vulgare  | Ref. |
|
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