Mol:BMSUM6He--16

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Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    3.7321    1.6830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    1.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -0.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6830    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
  2  3  1  0  0  0  0
  4  3  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
  2  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 16  1  6  0  0  0
  4 10  1  6  0  0  0
  5 15  1  1  0  0  0
 11 10  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
S  SKP  7
ID	BMSUM6He--16
NAME	1D-myo-Inositol 4-phosphate
FORMULA	C6H13O9P
EXACTMASS	260.0297
AVERAGEMASS	260.1357
SMILES	O[C@H]([C@H](O)1)[C@H](O)[C@@H](O)[C@@H]([C@@H](O)1)OP(O)(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03546
M  END

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