Mol:LBF14000BC09

Copyright: ARM project http://www.metabolome.jp/

18 17  0  0  0  0  0  0  0  0999 V2000 
   3.5624   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9915   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8478    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1333   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4189    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7044   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9915   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5624   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1333   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 1 17  1  0 
 6 18  1  0 

S SKP 6 ID LBF14000BC09 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCCCCCC(C)CC(C)C(O)=O AUTODRAW FALSE M END