Mol:BMAAB5AK0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 N   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 
    4.5981    0.5000    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  3  1  0  0  0  0 
  1  9  2  0  0  0  0 
  3  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  6  1  6  0  0  0 
  3  7  1  1  0  0  0 
S  SKP  7 
ID	BMAAB5AK0002 
NAME	L-Isoleucine 
FORMULA	C6H13NO2 
EXACTMASS	131.0946 
AVERAGEMASS	131.1729 
SMILES	CC[C@H](C)[C@H](N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00407 
M  END