Mol:LBF18106EO01


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

21 21  0  0  0  0  0  0  0  0999 V2000 
   5.0470   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7617   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4762   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7617    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3323   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6178   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9033   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1888   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4767   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7647   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0526   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3715   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0836   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9086   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6231   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3376   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0522   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7642   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4762   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594    0.2062    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  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
12 21  1  0 
11 21  1  0 

S SKP 6 ID LBF18106EO01 FORMULA C18H32O3 EXACTMASS 296.23514489 AVERAGEMASS 296.44488 SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1 AUTODRAW FALSE M END