Mol:LBF18206HO04


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.1031   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5323   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3885    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6740   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9596    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2451   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5331    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6029   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4279   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1423    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9673    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6818   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3963    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1083   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8203    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5323   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091    1.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6818   -1.0298    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  2  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
11 21  1  0 
16 22  1  0 

S SKP 6 ID LBF18206HO04 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCC(O)C=CC=CC(O)CCCCCCCC(O)=O AUTODRAW FALSE M END