Mol:LBF12101SC01

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

14 13  0  0  0  0  0  0  0  0999 V2000 
   2.9069   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6216   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3361   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6216    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1923   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4778   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7634   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0489   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6631   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3751   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0871   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7991   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5111   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3361   -0.2077    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  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 

S SKP 6 ID LBF12101SC01 FORMULA C12H22O2 EXACTMASS 198.16197994799998 AVERAGEMASS 198.30187999999998 SMILES C=CCCCCCCCCCC(O)=O AUTODRAW FALSE M END