Mol:Beta-D-Mannosamine.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    0.5895   -0.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0020   -0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087   -0.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5894   -0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0020   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2086   -0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3862   -0.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7988   -0.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7988   -0.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087    0.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6968    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4937    0.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  1 
  3  4  1  1 
  5  4  1  1 
  5  6  1  0 
  6  1  1  0 
  4  7  1  0 
  5  8  1  0 
  2  9  1  0 
  3 10  1  0 
  6 11  1  0 
 11 12  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-D-Mannosamine.mol 
FORMULA	C6H13NO5 
EXACTMASS	179.079372531 
AVERAGEMASS	179.17116 
SMILES	OCC(O1)C(O)C(O)C(N)C(O)1 
M  END