Mol:LBF22209SC01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   1.4180   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1327    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8471   -0.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1327    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7034    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0111   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7231    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5481    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2625   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9770    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8020    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2895   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7734   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9484   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2339   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4089   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6945   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0175   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7295   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4415   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1535   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8655   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5775   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2895   -0.8168    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  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 

S SKP 6 ID LBF22209SC01 FORMULA C22H40O2 EXACTMASS 336.302830524 AVERAGEMASS 336.5518 SMILES C(CCC(O)=O)C=CCCCCCCC=CCCCCCCCC AUTODRAW FALSE M END