Mol:LBF12110CA01

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

16 15  0  0  0  0  0  0  0  0999 V2000 
   3.2064   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9211    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6355   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9211    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4918    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7773   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0629    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3484   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355    0.2034    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  2  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  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  2  0 
14 16  1  0 

S SKP 6 ID LBF12110CA01 FORMULA C12H20O4 EXACTMASS 228.13615912799997 AVERAGEMASS 228.2848 SMILES OC(=O)CCCCCCCCC=CC(O)=O AUTODRAW FALSE M END