Mol:LBF20406AM21

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

24 23  0  0  0  0  0  0  0  0999 V2000 
   1.7820   -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 
   3.2111   -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 
   0.3529   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3591    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1841    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 
  -2.6131    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4381    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 
  -3.4095   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5845   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8700   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1555   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3305   -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 
   3.2369   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255   -0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255    0.4029    0.0000 C   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 
 3 24  1  0 

S SKP 6 ID LBF20406AM21 FORMULA C22H37NO EXACTMASS 331.287514811 AVERAGEMASS 331.53532 SMILES C(CCC(N(C)C)=O)C=CCC=CCC=CCC=CCCCCC AUTODRAW FALSE M END