Mol:Alpha-D-Psicose 6.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    0.4827    0.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8952   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1019    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6961   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1087    0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3154    0.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6961   -0.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9056    0.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8952   -0.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3964   -0.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6921    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9056    0.9177    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 
 11 12  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Alpha-D-Psicose 6.mol 
FORMULA	C6H12O6 
EXACTMASS	180.063388116 
AVERAGEMASS	180.15588 
SMILES	OCC(O)(O1)C(O)C(O)C(O)C1 
M  END