Mol:BMSUM6He--12

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 28  0  0  1  0  0  0  0  0999 V2000
    5.4641    1.6830    0.0000 C   0  0  2  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
    4.5981    0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301    0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    1.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1830    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -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   -0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1830    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  6  1  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
  2  8  1  1  0  0  0
  6 24  1  6  0  0  0
  4 14  1  6  0  0  0
  1  7  1  1  0  0  0
  5 19  1  1  0  0  0
  3  9  1  1  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
 21 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 19  1  0  0  0  0
 13 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10  9  1  0  0  0  0
 10 12  2  0  0  0  0
 16 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 14  1  0  0  0  0
 15 17  2  0  0  0  0
S  SKP  7
ID	BMSUM6He--12
NAME	1D-myo-Inositol 3,4,5,6-tetrakisphosphate
FORMULA	C6H16O18P4
EXACTMASS	499.9287
AVERAGEMASS	500.0754
SMILES	O[C@H]([C@H](O)1)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04520
M  END

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