Mol:Beta-D-Fructose 6.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    0.5895    0.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0020    0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087    0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5894    0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0020    0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2086    0.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5894   -0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7988    0.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0020   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087    1.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7988    0.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7164   -1.1446    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 
  2 11  1  0 
  9 12  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-D-Fructose 6.mol 
FORMULA	C6H12O6 
EXACTMASS	180.063388116 
AVERAGEMASS	180.15588 
SMILES	OCC(O)(O1)C(O)C(O)C(O)C1 
M  END