Mol:BMMCPYXXk010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7  8  2  0  0  0  0 
  6  7  1  0  0  0  0 
  4 11  2  0  0  0  0 
  2 10  2  0  0  0  0 
S  SKP  7 
ID	BMMCPYXXk010 
NAME	Orotic acid 
FORMULA	C5H4N2O4 
EXACTMASS	156.0171 
AVERAGEMASS	156.0963 
SMILES	O=C(C=1)NC(=O)NC1C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00295 
M  END