Mol:Beta-L-Quinovose.mol

 
 
 metabolomics.jp 
 11 11  0  0  0  0  0  0  0  0999 V2000 
   -0.5895    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0020   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2087    0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5894   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0020    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2086    0.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7988    0.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3862    0.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7921   -0.5356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7988    0.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3863    0.3220    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	Beta-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