Mol:BMCCPTFLq008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  1  0  0  0  0  0999 V2000
    3.7321   -0.7500    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   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 N   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
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  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
    8.9282   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    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
    4.5981    0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321    2.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.7500    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
    5.4641    2.2500    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
    2.8660    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0  0  0  0
 10 14  1  0  0  0  0
 12 11  1  0  0  0  0
 12  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 11  2  0  0  0  0
  8 16  1  0  0  0  0
  7 15  1  0  0  0  0
  2 22  2  0  0  0  0
  4 23  2  0  0  0  0
 10 17  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  1  0  0  0  0
  8  7  1  0  0  0  0
 18 19  1  0  0  0  0
  7  6  2  0  0  0  0
 19 20  1  0  0  0  0
  6 13  1  0  0  0  0
 20 21  1  0  0  0  0
 14  9  1  0  0  0  0
 18 24  1  6  0  0  0
 13 14  2  0  0  0  0
 19 25  1  1  0  0  0
 13  5  1  0  0  0  0
 20 26  1  6  0  0  0
  5 12  2  0  0  0  0
 21 27  1  0  0  0  0
S  SKP  7
ID	BMCCPTFLq008
NAME	Riboflavin
FORMULA	C17H20N4O6
EXACTMASS	376.1382
AVERAGEMASS	376.364
SMILES	OC[C@@H](O)[C@@H](O)[C@@H](O)CN(c21)C(=N3)C(C(=O)NC(=O)3)=Nc(cc(C)c(C)c2)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00255
M  END

</pre>