Mol:BMCCPPPY0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  0  0  0  0  0  0999 V2000 
    3.2321    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9230    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5411    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2321    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4921    0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2353    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8198    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4131    3.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1863    0.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0274    1.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  5  2  0  0  0  0 
  5  1  1  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 
  3  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
  7  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
 10 15  1  0  0  0  0 
 10 16  2  0  0  0  0 
  9 10  1  0  0  0  0 
  5 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
S  SKP  7 
ID	BMCCPPPY0004 
NAME	Porphobilinogen 
FORMULA	C10H14N2O4 
EXACTMASS	226.0953 
AVERAGEMASS	226.2292 
SMILES	NCc(n1)c(CC(O)=O)c(CCC(O)=O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00931 
M  END