Mol:BMAXS4CAi001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
    6.4860    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6200    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6200   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7540   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8879   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3520    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4860    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7540   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  5  1  1  0  0  0 
  2  1  1  0  0  0  0 
  1  8  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4 10  2  0  0  0  0 
  4 11  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1  9  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6 12  2  0  0  0  0 
  6  7  1  0  0  0  0 
S  SKP  7 
ID	BMAXS4CAi001 
NAME	N-Acetyl-L-aspartic acid 
FORMULA	C6H9NO5 
EXACTMASS	175.048 
AVERAGEMASS	175.1394 
SMILES	CC(=O)N[C@@H](CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01042 
M  END