Mol:LBF22000SC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 23  0  0  0  0  0  0  0  0999 V2000 
    3.9497    0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6647    0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9497    1.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3364    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6489    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9876    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3193    0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6593    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0117    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6744    0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3427    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0027    0.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6737    0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3364    0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0047    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6647    0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6647   -1.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9511   -1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3364   -1.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6476   -1.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9903   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3014   -1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6442   -0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0447   -1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  4  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  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 
 14 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 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
S  SKP  5 
ID	LBF22000SC01 
FORMULA	C22H44O2 
EXACTMASS	340.334130652 
AVERAGEMASS	340.58356000000003 
SMILES	C(CCC(O)=O)CCCCCCCCCCCCCCCCCC 
M  END