Mol:Beta-D-Iduronic acid.mol

 
 
 metabolomics.jp 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    0.4509    0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8634   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0702   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7279   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1405    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3472   -0.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7279   -1.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1405    0.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6603   -0.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0702    0.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8353    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4228    1.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6603    0.7219    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 
  6 11  1  0 
 11 12  2  0 
 11 13  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-D-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