Mol:LBF20406AM27


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   1.7819   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2110   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0673    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3528   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3592    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1842    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8986   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6130    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4380    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9255   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4094   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5844   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8699   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1556   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3306   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3839   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0984   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8104   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5224   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2368   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255    0.4029    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  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  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 
 3 23  1  0 

S SKP 6 ID LBF20406AM27 FORMULA C20H33NO2 EXACTMASS 319.251129305 AVERAGEMASS 319.48156 SMILES C(CC=CCC=CCC=CCC=CCCCC(NO)=O)CCC AUTODRAW FALSE M END