| Name |
Scabiolide |
| Formula |
C21H28O8 |
| Mw |
408.17841787 |
| CAS RN |
20055-57-6 |
| C_ID |
C00012340
, 
|
| InChIKey |
SQQDHMIYFXZFNM-LQHVWOFFNA-N |
| InChICode |
InChI=1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3/b12-6+,15-9-/t16-,17+,18+,21-/m1/s1 |
| SMILES |
C=C1C(=O)OC2C/C(C)=C/CC/C(COC(C)=O)=C/C(OC(=O)C(C)(O)CO)C12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea scabiosa  | Ref. |
|
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