Mol:LBF10000BC03

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

18 17  0  0  0  0  0  0  0  0999 V2000 
   2.1385   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8531    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5676   -0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8531    1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4238    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7093   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7095   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0050   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7170   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4289   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1409   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8529   -1.2361    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 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 6 13  1  0 
16 17  1  0 
17 18  1  0 

S SKP 6 ID LBF10000BC03 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCC(CCCCCC)CCC(O)=O AUTODRAW FALSE M END