Mol:BMFYB2SFb002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5670    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.3660   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3660   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5981    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  2  0  0  0  0 
  7  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
S  SKP  7 
ID	BMFYB2SFb002 
NAME	Choline sulfate 
FORMULA	C5H14NO4S 
EXACTMASS	184.0643 
AVERAGEMASS	184.235 
SMILES	C[N+1](C)(C)CCOS(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00919 
M  END