Mol:LBF20407OX01


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   2.1288    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8434    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5579    0.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8434    1.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4141    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6997    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0123    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8373    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5518    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2663    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0913    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5787   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0626   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2376   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5232   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8087   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0163   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7308   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4428   -0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1547   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8667   -0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5787   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0163   -1.6404    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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
17 23  2  0 

S SKP 6 ID LBF20407OX01 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CCC(C=CC=CCC=CCC=CCCCC(O)=O)=O)CC AUTODRAW FALSE M END