Mol:BMMCBZ2Og010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 17  0  0  0  0  0  0  0  0999 V2000 
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    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 
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.7500    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 
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    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 
    2.8660   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 12  2  0  0  0  0 
  6  5  1  0  0  0  0 
  6 16  2  0  0  0  0 
  8  9  2  0  0  0  0 
  8 17  1  0  0  0  0 
 12 11  1  0  0  0  0 
  5  4  2  0  0  0  0 
  9 10  1  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 15  1  0  0  0  0 
  1 13  1  0  0  0  0 
  1 14  2  0  0  0  0 
 11 10  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Og010 
NAME	2-Hydroxy-6-oxo-6- (2-hydroxyphenyl) -hexa-2,4-dienoic acid 
CAS_RN	133587-38-9 
FORMULA	C12H10O5 
EXACTMASS	234.0528 
AVERAGEMASS	234.2048 
SMILES	OC(=O)C(O)=CC=CC(=O)c(c1)c(O)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07731 
M  END