input word = C00020246

Metabolite InformationStructural formula
Name Petasipalin B
Formula C17H26O3
Mw 278.1881947
CAS RN 125988-77-4
C_ID C00020246 ,
InChIKey LXZVWWAMUYQSIZ-AGBHWUCLNA-N
InChICode InChI=1S/C17H26O3/c1-9(2)13-7-6-10(3)14-8-15(19)16(17(13)14)11(4)20-12(5)18/h9,11,13-14,16-17H,3,6-8H2,1-2,4-5H3/t11-,13+,14+,16+,17+/m1/s1
SMILES C=C1CC[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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