| Name |
4'-Acetylcnicin |
| Formula |
C22H28O8 |
| Mw |
420.17841787 |
| CAS RN |
106310-40-1 |
| C_ID |
C00036566
, 
|
| InChIKey |
CWWRPXCOCWBKLA-QCUYURRDNA-N |
| InChICode |
InChI=1S/C22H28O8/c1-12-6-5-7-16(10-23)9-19-20(14(3)22(27)30-19)18(8-12)29-21(26)13(2)17(25)11-28-15(4)24/h6,9,17-20,23,25H,2-3,5,7-8,10-11H2,1,4H3/b12-6-,16-9+/t17-,18-,19-,20+/m0/s1 |
| SMILES |
C=C1C(=O)O[C@@H]2/C=C(CO)CC/C=C(/C)C[C@H](OC(=O)C(=C)[C@@H](O)COC(C)=O)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea thessala ssp.attica | Ref. |
| Plantae | Asteraceae | Centaurea thessala ssp.drakiensis | Ref. |
|
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