input word = C00017400

Metabolite InformationStructural formula
Name Petasitolide A
Formula C20H28O4
Mw 332.19875938
CAS RN 5986-66-3
C_ID C00017400 ,
InChIKey XXBKFKJZAXTGFB-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O4/c1-6-11(2)18(21)23-16-8-7-14-9-17-15(12(3)19(22)24-17)10-20(14,5)13(16)4/h6,13-14,16-17H,7-10H2,1-5H3/b11-6+/t13-,14+,16+,17-,20+/m0/s1
SMILES CC=C(C)C(=O)OC1CCC2CC3OC(=O)C(C)=C3CC2(C)C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites officianalis Ref.
zoom in