| Name |
3-O-Methyltithonin |
| Formula |
C21H30O7 |
| Mw |
394.19915331 |
| CAS RN |
106533-68-0 |
| C_ID |
C00012146
, 
|
| InChIKey |
LEUUHZDDLPUPTN-OZRYDQDLNA-N |
| InChICode |
InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-/t12-,15-,16-,17+,20+,21-/m1/s1 |
| SMILES |
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(OC)CC[C@@](CO)(C[C@@H](OC(=O)C(C)CC)[C@@H]12)O3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tithonia rotundifolia | Ref. |
|
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