Mol:BMMCBZ1Sk007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  0  0  0  0  0  0999 V2000 
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  5  1  0  0  0  0 
  5  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 
  7 12  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
  6  7  1  0  0  0  0 
  1 14  1  0  0  0  0 
  1 13  2  0  0  0  0 
  2 15  1  0  0  0  0 
  6 16  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ1Sk007 
NAME	2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid 
FORMULA	C12H10O4 
EXACTMASS	218.0579 
AVERAGEMASS	218.2054 
SMILES	OC(=O)C(O)=CC=CC(=O)c(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01273 
M  END