Mol:Alpha-L-Quinovose.mol

 
 
 metabolomics.jp 
 11 11  0  0  0  0  0  0  0  0999 V2000 
   -0.3832    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7957   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0024   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7957   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2083    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4149   -0.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2083    0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5925   -0.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5858   -0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5925   -0.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1800   -0.0905    0.0000 C   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 
S  SKP  6 
AUTODRAW	FALSE 
ID	Alpha-L-Quinovose.mol 
FORMULA	C6H12O5 
EXACTMASS	164.068473494 
AVERAGEMASS	164.15648 
SMILES	CC(O1)C(O)C(O)C(O)C(O)1 
M  END