| Name |
Rotundin |
| Formula |
C22H28O8 |
| Mw |
420.17841787 |
| CAS RN |
82451-45-4 |
| C_ID |
C00012138
, 
|
| InChIKey |
UELPQYXGRIZTHA-CVBZKRJNNA-N |
| InChICode |
InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(10-27-14(5)23)18(30-22)8-15(24)12(3)7-16-19(17)13(4)21(26)28-16/h6-7,15-19,24H,4,8-10H2,1-3,5H3/b11-6-,12-7-/t15-,16+,17+,18+,19-,22-/m0/s1 |
| SMILES |
C\1=C(\[C@H](C[C@@H]2[C@@](C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)/C(=C\C)/C)(O2)COC(=O)C)O)/C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tithonia rotundifolia | Ref. |
| - | - | Trithonia rotundifolia | Ref. |
|
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