Mol:PBX00053

 
 OpenBabel10130914012D 
 
 11 11  0  0  0  0  0  0  0  0999 V2000 
  816.4853 -483.4836    0.0000 C   0  0  0  0  0 
  969.4927 -218.4670    0.0000 C   0  0  0  0  0 
 1275.5074 -218.4670    0.0000 C   0  0  0  0  0 
 1428.5146 -483.4836    0.0000 C   0  0  0  0  0 
 1275.5074 -748.5001    0.0000 C   0  0  0  0  0 
  969.4927 -748.5001    0.0000 C   0  0  0  0  0 
  816.4853-1013.5165    0.0000 C   0  0  0  0  0 
  969.4926-1278.5331    0.0000 O   0  0  0  0  0 
  510.4706-1013.5166    0.0000 O   0  0  0  0  0 
 1428.5146-1013.5166    0.0000 O   0  0  0  0  0 
 1734.5293-1013.5166    0.0000 C   0  0  0  0  0 
  1  2  1  0  0  0 
  1  6  2  0  0  0 
  2  3  2  0  0  0 
  3  4  1  0  0  0 
  4  5  2  0  0  0 
  5  6  1  0  0  0 
  5 10  1  0  0  0 
  6  7  1  0  0  0 
  7  8  1  0  0  0 
  7  9  2  0  0  0 
 10 11  1  0  0  0 
S  SKP  6 
NAME	o-Anisic acid 
ID	PBX00053 
FORMULA	C8H8O3 
EXACTMASS	152.047344122 
AVERAGEMASS	152.14731999999998 
SMILES	COc(c1)c(ccc1)C(O)=O 
M  END