Mol:Alpha-L-Mannuronic acid.mol

 
 
 metabolomics.jp 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    0.1084    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3041   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4892   -0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2872   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6998    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9065    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6998    1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2872   -1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0942   -0.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7455   -0.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1165    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3300   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6998    0.7387    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	Alpha-L-Mannuronic 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