Mol:BMCCPUAPS501

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Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  1  0  0  0  0  0999 V2000
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    2.0000    1.6059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9218    1.1060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7139    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9437    1.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    0.5708    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0177   -0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  1  0  0  0
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  1  9  1  1  0  0  0
  3  2  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
 24 28  1  6  0  0  0
 24 23  1  0  0  0  0
 21 28  1  6  0  0  0
 23 22  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 26  1  1  0  0  0
 23 27  1  1  0  0  0
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 12 11  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
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 16 20  1  0  0  0  0
 21 19  1  0  0  0  0
  6 34  1  0  0  0  0
 34 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 33 30  1  0  0  0  0
 30 29  1  0  0  0  0
 30 32  2  0  0  0  0
 30 31  1  0  0  0  0
 29 25  1  0  0  0  0
S  SKP  7
ID	BMCCPUAPS501
NAME	ADP-1-ribose
FORMULA	C15H23N5O14P2
EXACTMASS	559.0716
AVERAGEMASS	559.3159
SMILES	OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1OP(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+C01882
M  END

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