Mol:Phyllodulcin

 
  ACD/Labs11090714562D 
 
 21 23  0  0  1  0  0  0  0  0  1 V2000 
   18.7784  -12.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.7784  -13.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6264  -11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6264  -14.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4747  -12.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4747  -13.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.0820  -12.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.0820  -13.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9301  -11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9301  -14.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.2338  -11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.3856  -12.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.5374  -11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.5374  -10.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.3855   -9.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.2337  -10.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9301  -15.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6264  -15.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.6892   -9.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.6892  -12.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.8411  -10.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  8  7  1  0  0  0  0 
  9  7  1  0  0  0  0 
 10  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7 11  1  6  0  0  0 
 13 14  1  0  0  0  0 
 15 14  2  0  0  0  0 
 12 13  2  0  0  0  0 
 16 15  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 16  2  0  0  0  0 
 10 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
S  SKP  5 
ID	Phyllodulcin 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c3)c(O)cc(c3)C(O1)Cc(c2)c(c(O)cc2)C(=O)1 
M  END