Mol:L-Arabinose.mol

 
 
 metabolomics.jp 
 13 12  0  0  0  0  0  0  0  0999 V2000 
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  0 
  2  4  1  0 
  1  5  1  0 
  1  6  1  0 
  1  7  1  0 
  7  8  1  0 
  7  9  1  0 
  2 10  1  0 
 10 11  1  0 
  7 12  1  0 
 12 13  2  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  10  11 
M  SBL   1  1   9 
M  SMT   1 CH2OH 
M  SBV   1   9    0.0000    0.8250 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  12  13 
M  SBL   2  1  11 
M  SMT   2 CHO 
M  SBV   2  11    0.0000   -0.8250 
S  SKP  6 
AUTODRAW	FALSE 
ID	L-Arabinose.mol 
FORMULA	C5H10O5 
EXACTMASS	150.05282343 
AVERAGEMASS	150.12990000000002 
SMILES	OCC([H])(O)C([H])(O)C([H])(O)C=O 
M  END