Mol:BMAXDP--0004

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BMAXDP--0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   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 C   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
    6.3301    0.2500    0.0000 N   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
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  9  7  1  0  0  0  0
  9 15  2  0  0  0  0
 11 10  1  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  1  0  0  0
  1 13  2  0  0  0  0
 12 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
 10  9  1  0  0  0  0
  6  8  1  0  0  0  0
S  SKP  7
ID	BMAXDP--0004
NAME	beta-Alanyl-L-lysine
FORMULA	C9H19N3O3
EXACTMASS	217.1426
AVERAGEMASS	217.2655
SMILES	NCCCC[C@H](NC(=O)CCN)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05341
M  END

</pre>

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