Mol:LBF20406AM11


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

27 26  0  0  0  0  0  0  0  0999 V2000 
   0.3555   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0702    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7846   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0702    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3591    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0736   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7856    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6106    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3251   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0395    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8645    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3520   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8359   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0109   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2965   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5820   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7570   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0425   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3280   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3839   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0959   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8079   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4991    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2111   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6375   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3520    0.4057    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 
25 26  1  0 
26 27  1  0 

S SKP 6 ID LBF20406AM11 FORMULA C25H43NO EXACTMASS 373.334465003 AVERAGEMASS 373.61505999999997 SMILES C(CCCNC(CCCC=CCC=CCC=CCC=CCCCCC)=O)C AUTODRAW FALSE M END