Mol:Beta-L-Psicose 5.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    0.8381   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3432    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4537    0.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8381   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5526    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5526    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3432   -0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0577   -0.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0412    0.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5526    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0412    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7557   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1 11  1  1 
 12  2  1  0 
  2  3  1  0 
  3  1  1  0 
  1  4  1  0 
  1  5  1  0 
 12  6  1  0 
  2  7  1  0 
  7  8  1  0 
 11  9  1  0 
  5 10  1  0 
 12 11  1  1 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-L-Psicose 5.mol 
FORMULA	C6H12O6 
EXACTMASS	180.063388116 
AVERAGEMASS	180.15588 
SMILES	OCC(O1)C(O)C(O)C(O)(CO)1 
M  END