Mol:LBF18000OX04

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   4.9990   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7136    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4281   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7136    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2842    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5699   -0.2062    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 
   2.1409   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4290    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7169   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0024    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7121   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4265    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8557    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5702   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2846    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9991   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7137    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4281   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1408   -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 
18 19  1  0 
19 20  1  0 
 8 21  2  0 

S SKP 6 ID LBF18000OX04 FORMULA C18H34O3 EXACTMASS 298.25079495399996 AVERAGEMASS 298.46076 SMILES CCCCCCCCCCCCC(=O)CCCCC(O)=O AUTODRAW FALSE M END