Mol:Beta-L-Glucosamine.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
   -0.4385    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8510   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0577   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7403   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1529    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3596    0.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9498    0.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5372   -0.0649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6411   -0.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6479   -0.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2354    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9498    0.6350    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 
  5  7  1  0 
  4  8  1  0 
  3  9  1  0 
  2 10  1  0 
  1 11  1  0 
 11 12  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-L-Glucosamine.mol 
FORMULA	C6H13NO5 
EXACTMASS	179.079372531 
AVERAGEMASS	179.17116 
SMILES	OCC(O1)C(O)C(O)C(N)C(O)1 
M  END