Mol:LBF12000HO04

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

15 14  0  0  0  0  0  0  0  0999 V2000 
   3.2079   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9227   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6372   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9227    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4933   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7787   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0642   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3496   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3625   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0746   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7867   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4987   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2108   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9228   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6372   -0.2063    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 

S SKP 6 ID LBF12000HO04 FORMULA C12H24O3 EXACTMASS 216.172544634 AVERAGEMASS 216.31716 SMILES OCCCCCCCCCCCC(O)=O AUTODRAW FALSE M END