Mol:BMSUM9Ul--01

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 22  0  0  1  0  0  0  0  0999 V2000
    3.2321    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.2240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    1.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321    0.2240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.9560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    3.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    3.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  3  2  1  0  0  0  0
  7 20  1  1  0  0  0
  2 19  1  1  0  0  0
  8 21  1  6  0  0  0
  6 19  1  1  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  4 16  1  1  0  0  0
  2 15  1  6  0  0  0
  6  5  1  0  0  0  0
  2  1  1  0  0  0  0
  5 10  1  6  0  0  0
  1 13  2  0  0  0  0
  5  4  1  0  0  0  0
  1 14  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
  4  3  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
S  SKP  7
ID	BMSUM9Ul--01
NAME	N-Glycolyl-neuraminic acid
FORMULA	C11H19NO10
EXACTMASS	325.1008
AVERAGEMASS	325.2693
SMILES	OCC(=O)N[C@H]([C@@H](O)1)[C@@H](O[C@@](O)(C(O)=O)C1)[C@H](O)[C@H](O)CO
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03410
M  END

</pre>