Mol:BMMCACCHp009

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BMMCACCHp009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 11 11  0  0  1  0  0  0  0  0999 V2000
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7321   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  2  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    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    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
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  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  1  1  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  6  0  0  0
  5 11  1  6  0  0  0
  4 10  1  1  0  0  0
S  SKP  7
ID	BMMCACCHp009
NAME	3,5/4-Trihydroxy-cyclohexa-1,2-dione
FORMULA	C6H8O5
EXACTMASS	160.0371
AVERAGEMASS	160.1247
SMILES	O[C@@H](C1)[C@@H](O)[C@H](O)C(=O)C(=O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04287
M  END

</pre>

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