input word = C00020238

Metabolite InformationStructural formula
Name Petasipalin A
Formula C19H28O5
Mw 336.193674
CAS RN 125988-76-3
C_ID C00020238 ,
InChIKey JIIBFBCZVCMEEF-HKGWACIJNA-N
InChICode InChI=1S/C19H28O5/c1-9(2)14-8-17(24-13(6)21)10(3)15-7-16(22)18(19(14)15)11(4)23-12(5)20/h9,11,14-15,17-19H,3,7-8H2,1-2,4-6H3/t11-,14+,15+,17-,18+,19+/m1/s1
SMILES C=C1[C@H](OC(C)=O)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites palmatus Ref.
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