input word = C00050978

Metabolite InformationStructural formula
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)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
PlantaeAsteraceaePetasites kablikianus Ref.
PlantaeAsteraceaePetasites officinalis Ref.
PlantaeAsteraceaeSenecio polyodon Ref.
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OrganismSenecio polyodon
ReferenceEdited 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)