Mol:LBF20406AM12


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

27 26  0  0  0  0  0  0  0  0999 V2000 
   0.7127   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4274    0.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1419   -0.0104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4274    1.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0019    0.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7164   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4284    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2534    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9678   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6823    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5073    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9948   -0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4787   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6537   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9392   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2248   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3998   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6853   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0292   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7412   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4532   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1652   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8563    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5683   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2828    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9948   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2828    1.2286    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 
25 27  1  0 

S SKP 6 ID LBF20406AM12 FORMULA C25H43NO EXACTMASS 373.334465003 AVERAGEMASS 373.61505999999997 SMILES O=C(NCCC(C)C)CCCC=CCC=CCC=CCC=CCCCCC AUTODRAW FALSE M END