Mol:BMSUM6Up--11

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BMSUM6Up--11.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  1  0  0  0  0  0999 V2000 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  9  1  6  0  0  0 
  2  3  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1  8  2  0  0  0  0 
  1  7  1  0  0  0  0 
  3 10  1  6  0  0  0 
  5 11  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6 12  2  0  0  0  0 
  6 13  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6Up--11 
NAME	5-Dehydro-4-deoxy-D-glucaric acid 
FORMULA	C6H8O7 
EXACTMASS	192.027 
AVERAGEMASS	192.1235 
SMILES	OC(=O)C(=O)C[C@H](O)[C@@H](O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00679 
M  END
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