Mol:BMFYB4DAi007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  0  0  0  0  0  0999 V2000 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   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 
    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 N   0  0  0  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    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -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 
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  2  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  1 10  2  0  0  0  0 
  2  1  1  0  0  0  0 
  4 12  1  0  0  0  0 
  4 11  2  0  0  0  0 
  3  4  1  0  0  0  0 
  7 13  2  0  0  0  0 
S  SKP  7 
ID	BMFYB4DAi007 
NAME	2- [ (Acetylamino) methylene] -butanedioic acid 
CAS_RN	21161-46-6 
FORMULA	C7H9NO5 
EXACTMASS	187.048 
AVERAGEMASS	187.1501 
SMILES	CC(=O)NC=C(CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01215 
M  END