Mol:BMMCACDEk009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    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
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2 13  1  1  0  0  0
  3 14  1  6  0  0  0
 14  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
S  SKP  7
ID	BMMCACDEk009
NAME	Isochorismic acid
FORMULA	C10H10O6
EXACTMASS	226.0477
AVERAGEMASS	226.1828
SMILES	OC(=O)C(=C)O[C@@H](C=1)[C@@H](O)C(=CC1)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00885
M  END

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