Mol:BMSUM6N0--07

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 15 15  0  0  1  0  0  0  0  0999 V2000
    4.5981    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.2500    0.0000 C   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
    2.0000    2.2500    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
    4.5981   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  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
  5  6  1  0  0  0  0
  1 10  1  4  0  0  0
  2  7  1  1  0  0  0
  3 12  1  6  0  0  0
  4 13  1  6  0  0  0
  7  8  1  0  0  0  0
 15  6  1  0  0  0  0
  8 11  2  0  0  0  0
  5 14  1  6  0  0  0
  8  9  1  0  0  0  0
S  SKP  7
ID	BMSUM6N0--07
NAME	N-Acetyl-D-galactosamine
FORMULA	C8H15NO6
EXACTMASS	221.0899
AVERAGEMASS	221.2078
SMILES	OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01132
M  END

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