Mol:Alpha-L-Iduronic acid.mol

 
 
 metabolomics.jp 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    0.5895    0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0020    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0020    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2086    0.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3862    0.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7988    0.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7988    0.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5032   -0.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2086   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9231   -0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5058   -0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087    0.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5894    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2 12  1  1 
  3 13  1  1 
  3  4  1  0 
  4  1  1  0 
 13  5  1  0 
  3  6  1  0 
  2  7  1  0 
 12  8  1  0 
  4  9  1  0 
  9 10  1  0 
  9 11  2  0 
 12 13  1  1 
S  SKP  6 
AUTODRAW	FALSE 
ID	Alpha-L-Iduronic acid.mol 
FORMULA	C6H10O7 
EXACTMASS	194.042652674 
AVERAGEMASS	194.1394 
SMILES	OC(=O)C(O1)C(O)C(O)C(O)C(O)1 
M  END