| Name |
7-Acetoxymarrubin |
| Formula |
C22H30O6 |
| Mw |
390.20423869 |
| CAS RN |
63028-21-7 |
| C_ID |
C00022390
, 
|
| InChIKey |
WVBHIVUCJQTJIG-NYTQSHERNA-N |
| InChICode |
InChI=1S/C22H30O6/c1-13-16(27-14(2)23)17-18-20(3,19(24)28-17)8-5-9-21(18,4)22(13,25)10-6-15-7-11-26-12-15/h7,11-13,16-18,25H,5-6,8-10H2,1-4H3/t13-,16+,17-,18+,20+,21+,22-/m1/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@](O)(CCc2ccoc2)[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ballota nigra  | Ref. |
|
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