Mol:D-Glucosamine.mol

 
 
 metabolomics.jp 
 16 15  0  0  0  0  0  0  0  0999 V2000 
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  0 
  2  4  1  0 
  2  5  1  0 
  5  6  1  0 
  5  7  1  0 
  1  8  1  0 
  1  9  1  0 
  1 10  1  0 
 10 11  1  0 
 10 12  1  0 
  5 13  1  0 
 13 14  1  0 
 10 15  1  0 
 15 16  2  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  13  14 
M  SBL   1  1  12 
M  SMT   1 CH2OH 
M  SBV   1  12    0.0000    0.8250 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  15  16 
M  SBL   2  1  14 
M  SMT   2 CHO 
M  SBV   2  14    0.0000   -0.8250 
S  SKP  6 
AUTODRAW	FALSE 
ID	D-Glucosamine.mol 
FORMULA	C6H13NO5 
EXACTMASS	179.079372531 
AVERAGEMASS	179.17116 
SMILES	O=CC([H])(N)C([H])(O)C([H])(O)C([H])(O)CO 
M  END