Mol:Beta-L-Glucuronic acid.mol

 
 
 metabolomics.jp 
 13 13  0  0  0  0  0  0  0  0999 V2000 
   -0.2900    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7025   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0907   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8888   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3014    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5081    0.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0983    0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6857   -0.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4926   -0.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1439   -0.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5149    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7284   -0.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0983    0.7263    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 
  5  7  1  0 
  4  8  1  0 
  3  9  1  0 
  2 10  1  0 
  1 11  1  0 
 11 12  2  0 
 11 13  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Beta-L-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