Mol:BMAXS2ANr001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.2500    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 
    2.8660   -0.2500    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 
    2.0000   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 C   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 
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  7  1  0  0  0  0 
  3  2  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1  9  1  0  0  0  0 
  1  8  2  0  0  0  0 
  2  1  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  5  2  0  0  0  0 
S  SKP  7 
ID	BMAXS2ANr001 
NAME	Creatine 
FORMULA	C4H9N3O2 
EXACTMASS	131.0694 
AVERAGEMASS	131.1332 
SMILES	CN(CC(O)=O)C(N)=N 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00300 
M  END