Mol:LBF16000OX01

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

19 18  0  0  0  0  0  0  0  0999 V2000 
   4.2842   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9988    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7133   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9988    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5696    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8553   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1408    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4263   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7144    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0025   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7120    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4265   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1409    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8554   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5699    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2844   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9988    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7133   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2843   -1.0312    0.0000 O   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 
16 17  1  0 
17 18  1  0 
 1 19  2  0 

S SKP 6 ID LBF16000OX01 FORMULA C16H30O3 EXACTMASS 270.21949482599996 AVERAGEMASS 270.4076 SMILES CCCCCCCCCCCCCCC(=O)C(O)=O AUTODRAW FALSE M END