Mol:BMFYB2CAl001

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BMFYB2CAl001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 11  0  0  0  0  0  0  0  0999 V2000
    6.4860    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8879   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 12  2  0  0  0  0
  6  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
S  SKP  7
ID	BMFYB2CAl001
NAME	Allantoic acid
FORMULA	C4H8N4O4
EXACTMASS	176.0545
AVERAGEMASS	176.1308
SMILES	NC(=O)NC(NC(N)=O)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00499
M  END

</pre>

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