Mol:BMSUM5Ae--13

Revision as of 14:58, 25 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  1  0  0  0  0  0999 V2000 
   34.0695  -20.2237    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   33.6321  -21.5613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   32.2301  -21.5613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   31.8056  -20.2237    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   30.4742  -19.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1913  -18.4164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8600  -17.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.3944  -19.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   34.4553  -22.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   31.4005  -22.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   32.9246  -19.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   36.7899  -19.7798    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0 
   36.7899  -18.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   38.1921  -19.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   36.7899  -21.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  1  8  1  6     0  0 
  1 11  1  0     0  0 
  2  3  1  0     0  0 
  2  9  1  6     0  0 
  3 10  1  6     0  0 
  4  3  1  0     0  0 
  4  5  1  1     0  0 
  5  6  1  0     0  0 
  6  7  1  0     0  0 
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 11  4  1  0     0  0 
 12 13  1  0     0  0 
 12 14  1  0     0  0 
 12 15  2  0     0  0 
S  SKP  6 
NAME	S-Methyl-5-thio-D-ribose 1-phosphate 
ID	BMSUM5Ae--13 
FORMULA	C6H13O7PS 
EXACTMASS	260.01195996999996 
AVERAGEMASS	260.202981 
SMILES	CSC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O 
M  END