Mol:BMSUM6He--07

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 28  0  0  1  0  0  0  0  0999 V2000 
    4.7321    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.8660    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.8660   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.7321   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.5981   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5981    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    2.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0981    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0981    3.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -2.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981   -2.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0981   -3.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0981   -1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3301    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8301   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1962    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8301    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  6  1  0  0  0  0 
  6  5  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  3 13  1  1  0  0  0 
  2 12  1  1  0  0  0 
  1  7  1  1  0  0  0 
  5 23  1  1  0  0  0 
  4 18  1  6  0  0  0 
  6 24  1  6  0  0  0 
 13 14  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8  7  1  0  0  0  0 
  8 10  2  0  0  0  0 
 26 25  1  0  0  0  0 
 25 24  1  0  0  0  0 
 25 28  1  0  0  0  0 
 25 27  2  0  0  0  0 
 22 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 19 18  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6He--07 
NAME	1D-myo-Inositol 1,3,4,6-tetrakisphosphate 
FORMULA	C6H16O18P4 
EXACTMASS	499.9287 
AVERAGEMASS	500.0754 
SMILES	O[C@@H]([C@@H](OP(O)(O)=O)1)[C@H](OP(O)(O)=O)[C@H]([C@H](O)[C@@H](OP(O)(O)=O)1)OP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04477 
M  END