Mol:BMAXB4CAr001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10  9  0  0  1  0  0  0  0  0999 V2000 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  5  1  6  0  0  0 
  2  1  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4 10  2  0  0  0  0 
  4  9  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  3  6  1  6  0  0  0 
S  SKP  7 
ID	BMAXB4CAr001 
NAME	L-threo-3-Methyl-aspartic acid 
FORMULA	C5H9NO4 
EXACTMASS	147.0531 
AVERAGEMASS	147.1293 
SMILES	C[C@H](C(O)=O)[C@H](N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03618 
M  END