Mol:LBF20406AM13


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

27 26  0  0  0  0  0  0  0  0999 V2000 
   1.0687   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7834    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4978   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7834    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3541    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3604   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0724    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8974    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6118   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3263    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1513    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6388   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1227   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2977   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5832   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8688   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0438   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3293   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3852   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0972   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8092   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5212   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2123    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9243   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6388    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9268    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2123    1.2279    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 
23 24  1  0 
24 25  1  0 
23 26  1  0 
23 27  1  0 

S SKP 6 ID LBF20406AM13 FORMULA C25H43NO EXACTMASS 373.334465003 AVERAGEMASS 373.61505999999997 SMILES C(NC(C)(C)CC)(=O)CCCC=CCC=CCC=CCC=CCCCCC AUTODRAW FALSE M END