Mol:BMMCPYUR0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 18  0  0  1  0  0  0  0  0999 V2000 
    3.7321    2.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5686   -0.9365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.5468   -1.1444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.0468   -0.2784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.0468   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8255   -1.6057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9535   -2.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3776    0.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5468    0.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 12 16  1  6  0  0  0 
 12 11  1  0  0  0  0 
  9 16  1  6  0  0  0 
 11 10  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9  5  1  0  0  0  0 
 10 14  1  1  0  0  0 
 11 15  1  1  0  0  0 
  1  2  1  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  7  2  0  0  0  0 
  4  8  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 17  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYUR0013 
NAME	Pseudouridine 
FORMULA	C9H12N2O6 
EXACTMASS	244.0695 
AVERAGEMASS	244.2014 
SMILES	OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1C(=C2)C(=O)NC(=O)N2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02067 
M  END