Mol:BMSUM6He--14

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Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    4.7321    1.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8660    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8660   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7321   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5981    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5981    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5000    0.0000 P   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
    3.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
  3  9  1  1  0  0  0
  5 15  1  1  0  0  0
  6 16  1  6  0  0  0
  2  8  1  1  0  0  0
  4 14  1  6  0  0  0
 13 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10  9  1  0  0  0  0
S  SKP  7
ID	BMSUM6He--14
NAME	1D-myo-Inositol 3-phosphate
FORMULA	C6H13O9P
EXACTMASS	260.0297
AVERAGEMASS	260.1357
SMILES	O[C@H]([C@@H](O)1)[C@H](O)[C@H]([C@@H](O)[C@@H](O)1)OP(O)(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04006
M  END

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