Mol:LBF15000OX03

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

18 17  0  0  0  0  0  0  0  0999 V2000 
   3.9269   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6415    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3559   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6415    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2122    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4980   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7835    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0691   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3571    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3548   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0692    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7836   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4981    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2126   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9270    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6415   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3559    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6415   -1.0312    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  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  1  0 
15 16  1  0 
16 17  1  0 
16 18  2  0 

S SKP 6 ID LBF15000OX03 FORMULA C15H28O3 EXACTMASS 256.203844762 AVERAGEMASS 256.38102000000003 SMILES CC(=O)CCCCCCCCCCCCC(O)=O AUTODRAW FALSE M END