Mol:BMMCACDEk009

 
 
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