Mol:BMAXS3SFt004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  1  0  0  0  0  0999 V2000 
    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 
    4.5981    0.5000    0.0000 S   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 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -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  0  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   -3.5000    0.0000 Br  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 
    2.8660    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  4  1  1  0  0  0 
  2  1  1  0  0  0  0 
  1 13  2  0  0  0  0 
  3  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  1 14  1  0  0  0  0 
  8  7  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  9 12  1  0  0  0  0 
  6  5  1  0  0  0  0 
S  SKP  7 
ID	BMAXS3SFt004 
NAME	S-(4-Bromo-phenyl)-L-cysteine 
FORMULA	C9H10BrNO2S 
EXACTMASS	274.9615 
AVERAGEMASS	276.1512 
SMILES	OC(=O)[C@@H](N)CSc(c1)ccc(Br)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03900 
M  END