Mol:PR100694

 
  ACD/Labs08070914412D 
 
 10 10  0  0  0  0  0  0  0  0  1 V2000 
   18.5411   -5.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.6646   -4.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.5411   -6.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.2880   -5.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   20.7521   -4.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.4115   -7.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   16.2880   -6.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.9237   -4.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.0594   -5.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.9057   -3.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  6  7  1  0  0  0  0 
S  SKP  7 
CAS_RN	104-98-3 
NAME	urocanic acid 
ID	PR100694 
FORMULA	C6H6N2O2 
EXACTMASS	138.042927446 
AVERAGEMASS	138.12412 
SMILES	OC(=O)C=Cc(c1)ncn1 
M  END