Mol:LBF14000BC01

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

17 16  0  0  0  0  0  0  0  0999 V2000 
   3.5624   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9915   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8478    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1333   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4189    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7044   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9915   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -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 
13 14  1  0 
14 15  1  0 
15 16  1  0 
14 17  1  0 

S SKP 6 ID LBF14000BC01 FORMULA C15H30O2 EXACTMASS 242.22458020399998 AVERAGEMASS 242.3975 SMILES CCC(C)CCCCCCCCCCC(O)=O AUTODRAW FALSE M END