Mol:LBF10000BC04

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

18 17  0  0  0  0  0  0  0  0999 V2000 
   2.1385    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8531    0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5676    0.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8531    1.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4238    0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7093    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316    0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556    0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7218   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7218   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5551   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7301   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1467   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6783   -1.0813    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 
 1 13  1  0 
13 14  1  0 
 1 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 

S SKP 6 ID LBF10000BC04 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCCCC(CC)(CCCC)C(O)=O AUTODRAW FALSE M END