Mol:BMAXB5AKi001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
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    4.5981   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
 10  1  2  0  0  0  0 
  1  2  1  0  0  0  0 
  2  7  1  6  0  0  0 
  4  6  1  0  0  0  0 
  5  4  1  0  0  0  0 
  1 11  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 12  2  0  0  0  0 
S  SKP  7 
ID	BMAXB5AKi001 
NAME	N-Acetyl-L-leucine 
FORMULA	C8H15NO3 
EXACTMASS	173.1051 
AVERAGEMASS	173.2096 
SMILES	CC(C)C[C@H](NC(C)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02710 
M  END