Mol:PR100766

 
  ISISHOST10290423362D 1   1.00000     0.00000 15491 
 
 12 12  0     0  0            999 V2000 
   -1.0178   -2.7796    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.0212   -1.9564    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.7362   -3.1930    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.2960   -3.1930    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.3064   -1.5395    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.7362   -4.0307    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.2960   -4.0307    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.3064   -0.7163    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.0178   -4.4510    0.0000 C   0  0  0  0  0  0           0  0  0 
    0.4044   -0.3029    0.0000 O   0  0  0  0  0  0           0  0  0 
   -1.0281   -0.3064    0.0000 O   0  0  0  0  0  0           0  0  0 
    0.4286   -4.4458    0.0000 O   0  0  0  0  0  0           0  0  0 
  1  2  1  0     0  0 
  1  3  2  0     0  0 
  1  4  1  0     0  0 
  2  5  2  0     0  0 
  3  6  1  0     0  0 
  4  7  2  0     0  0 
  5  8  1  0     0  0 
  6  9  2  0     0  0 
  8 10  1  0     0  0 
  8 11  2  0     0  0 
  7  9  1  0     0  0 
  7 12  1  0     0  0 
PR100766n.mol:cas nothing 
S  SKP  5 
ID	PR100766 
FORMULA	C9H8O3 
EXACTMASS	164.047344122 
AVERAGEMASS	164.15802 
SMILES	OC(=O)C=Cc(c1)cc(O)cc1 
M  END