Mol:BMFYB4CAf021

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    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 
    4.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 C   0  0  2  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   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.5000    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 
  9  6  1  0  0  0  0 
  9  8  1  0  0  0  0 
  7 14  1  0  0  0  0 
  7 13  2  0  0  0  0 
  8  7  1  0  0  0  0 
  8 10  1  6  0  0  0 
  6  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 12  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2  5  1  6  0  0  0 
S  SKP  7 
ID	BMFYB4CAf021 
NAME	L-Cystathionine 
FORMULA	C7H14N2O4S 
EXACTMASS	222.0674 
AVERAGEMASS	222.2631 
SMILES	N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02291 
M  END