Mol:BMSUM9Ue--01

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 25  0  0  1  0  0  0  0  0999 V2000
    3.2321    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.3840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -0.6160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.1160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4860   -1.2060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3520   -0.7060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2181   -1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860   -2.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    0.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0841   -0.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9501   -1.2060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.4501   -2.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501   -0.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8161   -1.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  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 18  1  1  0  0  0
  6 18  1  1  0  0  0
  1 13  2  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  6  0  0  0
  4 16  1  1  0  0  0
  5 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
  2  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  1  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
  8 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 24  2  0  0  0  0
S  SKP  7
ID	BMSUM9Ue--01
NAME	N-Acetyl-neuraminate 9-phosphate
FORMULA	C11H20NO12P
EXACTMASS	389.0723
AVERAGEMASS	389.2498
SMILES	CC(=O)N[C@H]([C@@H](O)1)[C@@H](O[C@@](O)(C(O)=O)C1)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06241
M  END

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