Mol:LBF16000HO07


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

20 19  0  0  0  0  0  0  0  0999 V2000 
   4.6304   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3451   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0595   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3451    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9158   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2013   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4868   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7724   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0604   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3484   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3475   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0595   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355    0.6145    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 
17 18  1  0 
18 19  1  0 
17 20  1  0 

S SKP 6 ID LBF16000HO07 FORMULA C16H32O4 EXACTMASS 288.23005951199997 AVERAGEMASS 288.42287999999996 SMILES OCC(O)CCCCCCCCCCCCCC(O)=O AUTODRAW FALSE M END