Mol:BMCCCC--k005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 18  0  0  0  0  0  0  0  0999 V2000 
    2.5000    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4945    0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5000    0.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0933   -0.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8364   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7024   -2.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5685   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5685   -1.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7024   -0.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8364   -1.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    2.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1637    0.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 12 13  2  0  0  0  0 
 12  5  1  0  0  0  0 
 12 11  1  0  0  0  0 
 13  7  1  0  0  0  0 
 13  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 17  2  0  0  0  0 
 11 10  2  0  0  0  0 
  8  9  2  0  0  0  0 
  6  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2 16  1  0  0  0  0 
  1 14  1  0  0  0  0 
  1 15  2  0  0  0  0 
  7  6  1  0  0  0  0 
 10  9  1  0  0  0  0 
S  SKP  7 
ID	BMCCCC--k005 
NAME	(Z) -4- (3-Hydroxy-1H-inden-2-yl) -2-oxobut-3-enoic acid 
FORMULA	C13H10O4 
EXACTMASS	230.0579 
AVERAGEMASS	230.2161 
SMILES	OC(=O)C(O)=CC=C(C1)C(=O)c(c2)c(ccc2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07718 
M  END