Mol:Beta-D-Glucuronic acid.mol

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Beta-D-Glucuronic acid.mol.png

 
 
 metabolomics.jp 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    0.5895   -0.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0020   -0.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5894   -0.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0020   -0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2086   -0.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3862   -0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7988   -0.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7988   -0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5032   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6968    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2843    1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5218    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-Glucuronic 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
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