Mol:BMMCBZ2Ok030

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  0  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  0  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 
    3.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.5000    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 
    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 
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  1  0  0  0  0 
  8  9  2  0  0  0  0 
  4  3  2  0  0  0  0 
  9 10  1  0  0  0  0 
  3  2  1  0  0  0  0 
 10  5  2  0  0  0  0 
  2  1  1  0  0  0  0 
  5  6  1  0  0  0  0 
  2 13  2  0  0  0  0 
  6  7  2  0  0  0  0 
  1 11  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1 12  2  0  0  0  0 
  6 14  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Ok030 
NAME	(E) -4- (2-Hydroxyphenyl) -2-oxobut-3-enoic acid 
CAS_RN	90293-62-2 
FORMULA	C10H8O4 
EXACTMASS	192.0422 
AVERAGEMASS	192.1681 
SMILES	OC(=O)C(=O)C=Cc(c1)c(O)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06203 
M  END