Mol:LBF20407OX01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 22  0  0  0  0  0  0  0  0999 V2000 
   -3.5289   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1164   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2914   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2914    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1164    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5778   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8642   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5778    0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8642    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0392   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0392    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6745    0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3881    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1017    0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6745   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3881   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1017   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8153   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5289   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0764   -1.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8140    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8140    1.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5284    0.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  4  5  2  0  0  0  0 
  1  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 10 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 10 20  2  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
S  SKP  5 
ID	LBF20407OX01 
FORMULA	C20H30O3 
EXACTMASS	318.21949482599996 
AVERAGEMASS	318.4504 
SMILES	C(CCC(C=CC=CCC=CCC=CCCCC(O)=O)=O)CC 
M  END