Mol:BMMCQN--k006

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Copyright: ARM project http://www.metabolome.jp/
 14 14  0  0  1  0  0  0  0  0999 V2000
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0  0  0  0
  8 10  1  4  0  0  0
  8  9  1  0  0  0  0
  9 11  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
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  2  0  0  0  0
  7  8  1  0  0  0  0
  3 13  2  0  0  0  0
  7  1  1  0  0  0  0
  4 14  2  0  0  0  0
S  SKP  7
ID	BMMCQN--k006
NAME	Dopaquinone
FORMULA	C9H9NO4
EXACTMASS	195.0531
AVERAGEMASS	195.1721
SMILES	OC(=O)C(N)Cc(c1)cc(=O)c(=O)c1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00822
M  END

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