Mol:BMSUPnA0GG01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  1  0  0  0  0  0999 V2000 
    5.4641   -0.5000    0.0000 C   0  0  3  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 
    4.5981   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    4.5981    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5495   -1.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  1 16  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  2 13  1  1  0  0  0 
  3 14  1  6  0  0  0 
  4 15  1  6  0  0  0 
  1 22  1  4  0  0  0 
  6 17  1  0  0  0  0 
  6 18  2  0  0  0  0 
  5  6  1  0  0  0  0 
  7 19  1  4  0  0  0 
S  SKP  7 
ID	BMSUPnA0GG01 
NAME	(1,4-D-Galacturonide)n 
FORMULA	C12H18O13 
EXACTMASS	370.0747 
AVERAGEMASS	370.2635 
SMILES	OC(=O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C1O[C@H]([C@H](O)2)[C@@H](C(O)=O)OC(O)[C@H](O)2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03816 
M  END