Mol:BMFYS7DAq001

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BMFYS7DAq001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 12  0  0  1  0  0  0  0  0999 V2000
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  4  1  0  0  0  0
  7 13  2  0  0  0  0
  7 12  1  0  0  0  0
  4  3  1  0  0  0  0
  1  8  2  0  0  0  0
  6  5  1  0  0  0  0
  1  9  1  0  0  0  0
  3  2  2  0  0  0  0
  2 10  1  0  0  0  0
  7  6  1  0  0  0  0
  4 11  1  4  0  0  0
S  SKP  7
ID	BMFYS7DAq001
NAME	2,4-Dihydroxyhept-2-enedioic acid
FORMULA	C7H10O6
EXACTMASS	190.0477
AVERAGEMASS	190.1507
SMILES	OC(=O)CCC(O)C=C(O)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06201
M  END

</pre>

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