Mol:BMMCACCHk010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 13  0  0  1  0  0  0  0  0999 V2000
    3.7321    0.6340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.8660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1  7  1  1  0  0  0
  1 10  1  6  0  0  0
  5 13  1  1  0  0  0
  4 12  1  6  0  0  0
S  SKP  7
ID	BMMCACCHk010
NAME	3-Dehydro-quinic acid
FORMULA	C7H10O6
EXACTMASS	190.0477
AVERAGEMASS	190.1507
SMILES	O[C@H](C1)[C@H](O)C(=O)C[C@@](O)1C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00944
M  END

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