View source for Mol:Costunolide

 
  ACD/Labs12010716542D 
 
 19 20  0  0  1  0  0  0  0  0  1 V2000 
   26.1654   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.1654   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0135   -4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0135   -6.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.8617   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.8617   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.4691   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.4691   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.3172   -4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.3172   -6.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.7728   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.7728   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.6209   -4.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0135   -8.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.1654   -3.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.4691   -3.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   31.7133   -7.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.9246   -4.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8133   -7.3659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  2  0  0  0  0 
  6  5  1  0  0  0  0 
  9  7  1  0  0  0  0 
 10  8  1  0  0  0  0 
  1  9  2  0  0  0  0 
  2 10  1  0  0  0  0 
 12 11  1  0  0  0  0 
 13 11  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8  7  1  0  0  0  0 
  4 14  1  0  0  0  0 
  1 15  1  0  0  0  0 
  7 16  1  6  0  0  0 
  8 12  1  0  0  0  0 
 12 17  2  0  0  0  0 
 11 18  2  0  0  0  0 
  8 19  1  1  0  0  0 
S  SKP  5 
ID	Costunolide 
FORMULA	C15H20O2 
EXACTMASS	232.14632988399998 
AVERAGEMASS	232.3181 
SMILES	CC(=C2)CCC([H])(C(=C)1)C([H])(C=C(C)CC2)OC(=O)1 
M  END