Mol:BMMCHC--e010

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BMMCHC--e010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    4.0137    2.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6310    1.2413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.7071    0.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.3244   -0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2483    2.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0051    2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5549    0.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7071   -0.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6310   -1.3718    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2483   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0137   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5549   -0.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9375   -0.0653    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8614   -0.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8614    0.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  5  1  6  0  0  0 
  2  7  1  1  0  0  0 
  2  1  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  8  1  1  0  0  0 
  3  4  1  0  0  0  0 
  4  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14  7  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
S  SKP  7 
ID	BMMCHC--e010 
NAME	2-C-methyl-D-erythritol 2,4-cyclodiphosphate 
FORMULA	C5H12O9P2 
EXACTMASS	277.9956 
AVERAGEMASS	278.0909 
SMILES	OC[C@](C)([C@H](O)1)OP(O)(=O)OP(O)(=O)OC1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C11453 
M  END
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