Mol:BMCCPUAPS602

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  1  0  0  0  0  0999 V2000
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    2.6180    1.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9271    2.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8509   -1.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7169   -1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5829   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9193   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9248   -0.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4490   -3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2557    0.6243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4636    1.6025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5976    2.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.8763    1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3771    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4930    3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2612    0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290    1.1060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0211    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4369    2.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509    1.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5817    0.5708    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.3249   -0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8386    1.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12  6  1  0  0  0  0
  5 11  1  1  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  4  0  0  0
  2  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  1  6  0  0  0
 26 30  1  6  0  0  0
 26 25  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 28  1  1  0  0  0
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 15 14  2  0  0  0  0
 14 13  1  0  0  0  0
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 18 17  1  0  0  0  0
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 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 23 21  1  0  0  0  0
  7 36  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 35 32  1  0  0  0  0
 32 31  1  0  0  0  0
 32 34  2  0  0  0  0
 32 33  1  0  0  0  0
 31 27  1  0  0  0  0
S  SKP  7
ID	BMCCPUAPS602
NAME	ADPglucose
FORMULA	C16H25N5O15P2
EXACTMASS	589.0822
AVERAGEMASS	589.3419
SMILES	OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(n3)c(n4)c(N)nc3
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00498
M  END

</pre>