Mol:BMSUD2AeCC03

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Copyright: ARM project http://www.metabolome.jp/
 27 28  0  0  1  0  0  0  0  0999 V2000
    3.7321   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7321   -2.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -3.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.8840    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
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    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
    4.5981    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5 16  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 16  1  0  0  0  0
  5  6  1  0  0  0  0
  3 14  1  6  0  0  0
  4 15  1  1  0  0  0
  1 22  1  4  0  0  0
  2 13  1  1  0  0  0
  6 17  1  0  0  0  0
 11 26  1  6  0  0  0
 11 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9  8  1  0  0  0  0
  8  7  1  0  0  0  0
  7 26  1  4  0  0  0
 11 12  1  0  0  0  0
  9 24  1  6  0  0  0
 10 25  1  1  0  0  0
  8 23  1  1  0  0  0
  7 22  1  0  0  0  0
 12 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
S  SKP  7
ID	BMSUD2AeCC03
NAME	Trehalose 6-phosphate
FORMULA	C12H23O14P
EXACTMASS	422.0825
AVERAGEMASS	422.2763
SMILES	OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)2
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00689
M  END

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