Mol:BMSUM5Ke--09

Latest revision as of 18:26, 17 June 2010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  0  0  0  0  0  0999 V2000 
   15.9407  -15.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.9407  -16.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.9407  -17.7721    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   15.9407  -19.1979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   15.9407  -20.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.1759  -21.3466    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   18.4180  -20.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.1759  -14.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6019  -14.5916    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0 
   18.6019  -13.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.5954  -16.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0279  -14.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.3665  -16.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.3665  -17.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.3665  -19.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  8  1  0     0  0 
  2  1  1  0     0  0 
  2 13  2  0     0  0 
  3  2  1  0     0  0 
  3  4  1  0     0  0 
  3 14  1  0     0  0 
  4  5  1  0     0  0 
  4 15  1  0     0  0 
  5  6  1  0     0  0 
  6  7  1  0     0  0 
  8  9  1  0     0  0 
  9 10  1  0     0  0 
  9 11  2  0     0  0 
  9 12  1  0     0  0 
S  SKP  7 
NAME	(3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate 
CAS_RN	629647-82-1 
ID	BMSUM5Ke--09 
FORMULA	C6H13O7PS 
EXACTMASS	260.01195996999996 
AVERAGEMASS	260.202981 
SMILES	CSCC(O)C(O)C(=O)COP(O)(O)=O 
SMILES	CSCC(O)C(O)C(=O)COP(O)(O)=O 
M  END