Mol:LBF11000BC01

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

14 13  0  0  0  0  0  0  0  0999 V2000 
   2.4944   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2091    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9236   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2091    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7798    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0653   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3509    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116   -1.0298    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 
12 14  1  0 

S SKP 6 ID LBF11000BC01 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CC(C)CCCCCCCCC(O)=O AUTODRAW FALSE M END