Mol:BMFYS8AL0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  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 
    2.0000   -3.0000    0.0000 C   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 
  2  3  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  1  9  2  0  0  0  0 
  7  8  1  0  0  0  0 
S  SKP  7 
ID	BMFYS8AL0001 
NAME	1-Octanal 
FORMULA	C8H16O 
EXACTMASS	128.1201 
AVERAGEMASS	128.212 
SMILES	CCCCCCCC=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01545 
M  END