Mol:BMAXS5AMn003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 13  0  0  1  0  0  0  0  0999 V2000
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  5 12  2  0  0  0  0
  6 10  1  4  0  0  0
  7  6  1  0  0  0  0
  9 14  2  0  0  0  0
  9  8  1  0  0  0  0
 11  1  1  0  0  0  0
  6  5  1  0  0  0  0
  1  2  1  0  0  0  0
 11  9  1  0  0  0  0
  2  3  1  0  0  0  0
  5 13  1  0  0  0  0
  3  4  3  0  0  0  0
S  SKP  7
ID	BMAXS5AMn003
NAME	Glutamyl-3-amino-propiono-nitrile
FORMULA	C8H13N3O3
EXACTMASS	199.0956
AVERAGEMASS	199.2072
SMILES	N#CCCNC(=O)CCC(N)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06114
M  END

</pre>