Mol:Alpha-L-Glucose.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
   -0.2322    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6447   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1486   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9466   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3592    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5659   -0.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3592    0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7435   -0.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4348   -0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4416   -0.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0291   -0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7435    0.3220    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	Alpha-L-Glucose.mol 
FORMULA	C6H12O6 
EXACTMASS	180.063388116 
AVERAGEMASS	180.15588 
SMILES	OCC(O1)C(O)C(O)C(O)C(O)1 
M  END