Mol:Osthole

 
  ACD/Labs11200718112D 
 
 18 19  0  0  0  0  0  0  0  0  1 V2000 
   29.0177   -7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.0177   -8.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.8658   -6.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.8658   -9.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7140   -7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7140   -8.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.3214   -7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.3214   -8.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1695   -6.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1695   -9.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.5622   -6.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   32.4732   -6.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.8658   -5.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7139   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7139   -3.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.4104   -7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.5621   -2.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.8658   -2.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  8  7  1  0  0  0  0 
  9  7  1  0  0  0  0 
 10  8  2  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
  5 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  3 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 16 11  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
S  SKP  5 
ID	Osthole 
FORMULA	C15H16O3 
EXACTMASS	244.109944378 
AVERAGEMASS	244.28574 
SMILES	CC(C)=CCc(c(OC)1)c(O2)c(C=CC(=O)2)cc1 
M  END