Mol:BMSUM6Up--10

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BMSUM6Up--10.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 12  0  0  1  0  0  0  0  0999 V2000
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7321   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  1  7  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  6  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  5 12  2  0  0  0  0
S  SKP  7
ID	BMSUM6Up--10
NAME	2-Dehydro-L-idonic acid
FORMULA	C6H8O7
EXACTMASS	192.027
AVERAGEMASS	192.1235
SMILES	OCC(=O)[C@@H](O)[C@H](O)C(=O)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02780
M  END

</pre>

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