Mol:BMFYS7DAq001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  1  0  0  0  0  0999 V2000 
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  5  4  1  0  0  0  0 
  7 13  2  0  0  0  0 
  7 12  1  0  0  0  0 
  4  3  1  0  0  0  0 
  1  8  2  0  0  0  0 
  6  5  1  0  0  0  0 
  1  9  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2 10  1  0  0  0  0 
  7  6  1  0  0  0  0 
  4 11  1  4  0  0  0 
S  SKP  7 
ID	BMFYS7DAq001 
NAME	2,4-Dihydroxyhept-2-enedioic acid 
FORMULA	C7H10O6 
EXACTMASS	190.0477 
AVERAGEMASS	190.1507 
SMILES	OC(=O)CCC(O)C=C(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06201 
M  END