Mol:BMSUM6Le--01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
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    2.8660    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6962   -1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6962   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  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 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1  7  2  0  0  0  0 
  3  9  1  6  0  0  0 
  5  6  1  0  0  0  0 
  4 10  1  1  0  0  0 
  2  8  1  1  0  0  0 
  6 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
S  SKP  7 
ID	BMSUM6Le--01 
NAME	D-6-Phospho-glucono 1,5-lactone 
FORMULA	C6H11O9P 
EXACTMASS	258.014 
AVERAGEMASS	258.1199 
SMILES	O=C(O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01236 
M  END