Mol:BMCCPTFLq008

 
 
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