Mol:BMSUM6Ke--08

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BMSUM6Ke--08.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    3.2601    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2601    0.6585    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.9511   -0.2925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7601   -0.8803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5691   -0.2925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5691   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1261    2.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3090    0.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -1.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2601    0.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0691   -1.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0691   -1.1585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0691   -2.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0691   -0.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0691   -1.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  2 11  1  0  0  0  0 
  5 11  1  6  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  5  6  1  0  0  0  0 
  4 10  1  6  0  0  0 
  3  9  1  6  0  0  0 
  6 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 13 14  2  0  0  0  0 
  2  8  1  4  0  0  0 
  2  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6Ke--08 
NAME	D-Tagatose 6-phosphate 
FORMULA	C6H13O9P 
EXACTMASS	260.0297 
AVERAGEMASS	260.1357 
SMILES	OCC(O)(O1)[C@@H](O)[C@@H](O)[C@@H](COP(O)(O)=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01097 
M  END
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