Mol:LBF20503HP04


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

25 24  0  0  0  0  0  0  0  0999 V2000 
  -1.1802    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8947   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6092    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4342    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9217   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4056   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5806   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8661   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1516   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3266   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3878   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1023   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4683   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3567   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0712    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7832   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4952    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2072   -0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4952    1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9273   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6418   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3563   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1802    1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4658    1.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9217    0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  2  0 
 7  8  1  0 
 8  9  1  0 
 9 10  2  0 
10 11  1  0 
11 12  1  0 
 1 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
17 19  2  0 
12 20  2  0 
20 21  1  0 
21 22  1  0 
 1 23  1  0 
23 24  1  0 
18 25  1  0 

S SKP 6 ID LBF20503HP04 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES CCC=CCC=CCC=CCC=CCC(OO)C=CCCC(=O)OC AUTODRAW FALSE M END