Mol:BMSUD2A0GC02

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BMSUD2A0GC02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    3.7321   -3.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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    4.5981    3.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321    2.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10 21  1  1  0  0  0 
  9 20  1  6  0  0  0 
  8 19  1  1  0  0  0 
 12 23  1  0  0  0  0 
  7 18  1  4  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 22  1  6  0  0  0 
 22  7  1  0  0  0  0 
 11 12  1  0  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 16  1  0  0  0  0 
  5 16  1  6  0  0  0 
  3 14  1  6  0  0  0 
  4 15  1  6  0  0  0 
  5  6  1  0  0  0  0 
  6 17  1  0  0  0  0 
  2 13  1  1  0  0  0 
  1 23  1  1  0  0  0 
S  SKP  7 
ID	BMSUD2A0GC02 
NAME	(3R,4S,5S,6R) -6- [ [(2S,3R,4S,5R,6R) -3,4,5-Trihydroxy-6- (hydroxymethyl) oxan-2-yl] oxymethyl] oxane-2,3,4,5-tetrol 
CAS_RN	585-99-9 
FORMULA	C12H22O11 
EXACTMASS	342.1162 
AVERAGEMASS	342.2964 
SMILES	OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](OC[C@@H](O2)[C@@H](O)[C@H](O)[C@@H](O)C(O)2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05402 
M  END
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