| 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@@H]12[C@H](OC(=O)C1=C)C/C(=C/CC/C(=C/[C@@H]2OC(=O)[C@](C)(O)CO)/COC(=O)C)/C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea scabiosa  | Ref. |
|
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