Mol:BMAXDP--f015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 C   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   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6 12  1  0  0  0  0 
  6  4  1  0  0  0  0 
 12 10  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  5  1  6  0  0  0 
 10  9  1  0  0  0  0 
  9  8  1  0  0  0  0 
  8 11  1  6  0  0  0 
  7 15  1  0  0  0  0 
  7 16  2  0  0  0  0 
  8  7  1  0  0  0  0 
  1 13  1  0  0  0  0 
  1 14  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  7 
ID	BMAXDP--f015 
NAME	L-Homocystine 
FORMULA	C8H16N2O4S2 
EXACTMASS	268.0551 
AVERAGEMASS	268.3557 
SMILES	OC(=O)[C@@H](N)CCSSCC[C@H](N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01817 
M  END