| Name |
Isopetasin |
| Formula |
C20H28O3 |
| Mw |
316.20384476 |
| CAS RN |
469-26-1 |
| C_ID |
C00050978
|
| InChIKey |
OFDHBFFGRFCQOW-PDQVKBQWNA-N |
| InChICode |
InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
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| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Petasites japonicus  | Ref. |
| Plantae | Asteraceae | Petasites kablikianus | Ref. |
| Plantae | Asteraceae | Petasites officinalis  | Ref. |
| Plantae | Asteraceae | Senecio polyodon | Ref. |
|
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| Organism | Petasites officinalis | | Reference | Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).
Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998) |
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