Mol:BMMCPD--k008

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Copyright: ARM project http://www.metabolome.jp/
 14 14  0  0  0  0  0  0  0  0999 V2000
    3.7321    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 C   0  0  0  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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    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
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  2  1  0  0  0  0
  2  1  2  0  0  0  0
  1  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  4  1  0  0  0  0
  8 12  1  0  0  0  0
  8 11  2  0  0  0  0
  4  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
  5  9  1  0  0  0  0
  3 10  1  0  0  0  0
  2  7  1  0  0  0  0
S  SKP  7
ID	BMMCPD--k008
NAME	3-Hydroxy-2-methyl-pyridine-4,5-dicarboxylic acid
FORMULA	C8H7NO5
EXACTMASS	197.0324
AVERAGEMASS	197.1449
SMILES	OC(=O)c(c1)c(C(O)=O)c(O)c(C)n1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04604
M  END

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