Mol:120 FLIA

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.9133    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9133    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1988    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4843    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4843    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1988    2.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7698    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7698   -0.2203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0552    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6595    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6595   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3740   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0884   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0884    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3740    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7698    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0552    1.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6278    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1988   -0.2203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3740    1.8422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3740   -1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0884   -1.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8028   -1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8028   -0.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6278   -1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0164   -2.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0 
  3  4  1  0 
  4  5  2  0 
  5  6  1  0 
  6  1  2  0 
  4  7  1  0 
  1  2  1  0 
  7  8  2  0 
  7  9  1  0 
  9 10  1  0 
 10 11  2  0 
 11 12  1  0 
 12 13  2  0 
 13 14  1  0 
 14 15  2  0 
 15 10  1  0 
  5 16  1  0 
  9 17  2  0 
 17 16  1  0 
  1 18  1  0 
  3 19  1  0 
 15 20  1  0 
 12 21  1  0 
 21 22  2  0 
 22 23  1  0 
 23 24  1  0 
 24 13  1  0 
 23 25  1  0 
 23 26  1  0 
S  SKP  5 
ID	120 FLIA 
FORMULA	C20H16O6 
EXACTMASS	352.094688244 
AVERAGEMASS	352.33744 
SMILES	Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C3)c(c1)c(O)cc(O2)c(C=CC(C)(C)2)1 
M  END