Mol:LBF12202HO01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 18  0  0  1  0  0  0  0  0999 V2000 
   -1.9103    0.7803    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.4067    0.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9323   -0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1472   -0.3128    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.1320    0.5094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.1234    1.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0904   -1.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4445   -0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2732   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2732    0.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4445    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9827   -0.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6922   -0.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6922    0.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4067   -0.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4067   -1.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9813    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6958    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  6  1  4  0  0  0 
  3  7  2  0  0  0  0 
  4  8  1  4  0  0  0 
  8  9  1  0  0  0  0 
 10 11  2  0  0  0  0 
  5 11  1  4  0  0  0 
  9 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 10 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
S  SKP  5 
ID	LBF12202HO01 
FORMULA	C13H18O5 
EXACTMASS	254.11542368599999 
AVERAGEMASS	254.27902 
SMILES	O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1 
M  END