Mol:LBF20406AM18


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

28 27  0  0  0  0  0  0  0  0999 V2000 
   0.0008   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7154    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4299   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7154    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7139    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4284   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1404    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9654    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6798   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3943    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2193    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7068   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1907   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3657   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6512   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9367   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1117   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3973   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6828   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0292   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7412   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4532   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1443    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8563   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5708    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2828   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9948    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7068   -0.0068    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 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 

S SKP 6 ID LBF20406AM18 FORMULA C25H43NO2 EXACTMASS 389.329379625 AVERAGEMASS 389.61446 SMILES C(CCCCNC(CCCC=CCC=CCC=CCC=CCCCCC)=O)O AUTODRAW FALSE M END