Mol:LBF20306HX03


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

24 24  0  0  0  0  0  0  0  0999 V2000 
   1.8799    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5946    1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3090    1.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5946    0.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1654    1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4509    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2611    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0861    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8005    1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5149    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1024    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5149    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1024   -0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5149   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9316   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2172   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3922   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3223   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0368   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7511   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4656   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1801   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3090    1.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9274   -0.6290    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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
10 23  1  0 
13 24  1  6 
14 24  1  6 

S SKP 6 ID LBF20406HX01 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(=C[C@@H](O)CC=CCCCC(O)=O)[C@@H](O1)[C@@H]1CC=CCCCCC AUTODRAW FALSE M END