Mol:BMCCPTPTq015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 18  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.0000    0.0000 N   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 
    4.5981    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 
    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   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0000    2.0000    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 
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10  9  1  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5 10  2  0  0  0  0 
  9  1  2  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4 10  1  0  0  0  0 
  4 15  2  0  0  0  0 
  2 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  1  0  0  0 
 12 16  1  6  0  0  0 
 13 17  1  0  0  0  0 
S  SKP  7 
ID	BMCCPTPTq015 
NAME	Biopterin 
FORMULA	C9H11N5O3 
EXACTMASS	237.0861 
AVERAGEMASS	237.2155 
SMILES	C[C@@H](O)[C@H](O)C(=C2)N=c(c(=O)1)c(N2)nc(N)n1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06313 
M  END