Mol:Beta-L-Tagatose 5.mol

 
 
 metabolomics.jp 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    0.4397   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0369   -0.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7416    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0553    0.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4397   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1541    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1541   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7416   -0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3542   -0.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1541    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1541   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1 11  1  1 
 11  2  1  0 
 12  3  1  0 
  3  4  1  0 
  4  1  1  0 
  1  5  1  0 
  1  6  1  0 
 12  7  1  0 
  3  8  1  0 
  8  9  1  0 
  6 10  1  0 
 12 11  1  1 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-L-Tagatose 5.mol 
FORMULA	C6H12O6 
EXACTMASS	180.063388116 
AVERAGEMASS	180.15588 
SMILES	OCC(O1)C(O)C(O)C(O)(CO)1 
M  END