Mol:BMCCPTPT0018

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 13  0  0  0  0  0  0  0  0999 V2000 
    4.5981   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4 10  1  0  0  0  0 
  9  1  1  0  0  0  0 
 10  9  2  0  0  0  0 
 10  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  2 11  1  0  0  0  0 
  4 12  2  0  0  0  0 
S  SKP  7 
ID	BMCCPTPT0018 
NAME	Pterin 
FORMULA	C6H5N5O 
EXACTMASS	163.0494 
AVERAGEMASS	163.137 
SMILES	NC(N1)=Nc(n2)c(ncc2)C(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00715 
M  END