Mol:Beta-D-Galacturonic acid.mol

 
 
 metabolomics.jp 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    0.4509   -0.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8634   -0.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0702   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7279   -0.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1405   -0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3472   -0.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5248   -0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1405    0.2019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6603   -0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3646   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8353    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4228    1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6603    0.4511    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-Galacturonic 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