Mol:BMMCPYXXk010

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BMMCPYXXk010.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 11 11  0  0  0  0  0  0  0  0999 V2000
    3.7321    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1  6  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  6  7  1  0  0  0  0
  4 11  2  0  0  0  0
  2 10  2  0  0  0  0
S  SKP  7
ID	BMMCPYXXk010
NAME	Orotic acid
FORMULA	C5H4N2O4
EXACTMASS	156.0171
AVERAGEMASS	156.0963
SMILES	O=C(C=1)NC(=O)NC1C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00295
M  END

</pre>

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