Mol:BMMCPD--m018

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 16  0  0  0  0  0  0  0  0999 V2000 
   -1.8010    0.3713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8010   -0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0865   -0.8662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3720   -0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3720    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0865    0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5155   -0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3424   -0.8662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3424    0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0865    0.4537    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    1.0865   -0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8010   -0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5155   -0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5155    0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8010    0.8662    0.0000 C   0  0  0  0  0  0  0  0  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  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  2  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  9 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCPD--m018 
NAME	Hetero-pyrithiamine 
FORMULA	C11H13N4 
EXACTMASS	201.114 
AVERAGEMASS	201.2478 
SMILES	Cc(n2)nc(N)c(c2)C[n+1](c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02691 
M  END