Mol:LBF20107PG09


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

24 24  0  0  0  0  0  0  0  0999 V2000 
   2.0614    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4906    0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3467    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0823    0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7969    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5089    0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4906    0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210   -0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5064   -0.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7920   -0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321   -0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3442   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0563   -0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7683   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4804   -0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2606    1.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2597   -1.3541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -1.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 9  8  1  6 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13  9  1  0 
13 14  1  1 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
10 22  2  0 
12 23  1  6 
16 24  1  6 

S SKP 6 ID LBF20107PG09 FORMULA C20H36O4 EXACTMASS 340.26135963999997 AVERAGEMASS 340.49744 SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCCO)[C@@H](CC1=O)O)CC AUTODRAW FALSE M END