Mol:LBF12000BC02

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

15 14  0  0  0  0  0  0  0  0999 V2000 
   2.8504   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2795   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1358   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.6187    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   -0.6187    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   -0.6187    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   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676    0.6145    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 
13 15  1  0 

S SKP 6 ID LBF12000BC02 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CC(C)CCCCCCCCCC(O)=O AUTODRAW FALSE M END