Mol:BMSUM6He--17

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2 12  1  1  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 15  1  1  0  0  0 
  6 16  1  0  0  0  0 
  3 13  1  6  0  0  0 
  4 14  1  6  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 10  2  0  0  0  0 
S  SKP  7 
ID	BMSUM6He--17 
NAME	D-Mannitol 1-phosphate 
FORMULA	C6H15O9P 
EXACTMASS	262.0453 
AVERAGEMASS	262.1516 
SMILES	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00644 
M  END