Mol:BMMCBZ3Sk036

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301   -1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.2500    0.0000 C   0  0  0  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 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  7 13  1  0  0  0  0 
  7 12  2  0  0  0  0 
  1  7  1  0  0  0  0 
  4 11  1  1  0  0  0 
  3 14  1  6  0  0  0 
 14  9  1  0  0  0  0 
  8 15  1  0  0  0  0 
  8 16  2  0  0  0  0 
  9  8  1  0  0  0  0 
  9 10  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk036 
NAME	4-Amino-4-deoxy-chorismic acid 
FORMULA	C10H11NO5 
EXACTMASS	225.0637 
AVERAGEMASS	225.198 
SMILES	OC(=O)C(=C)O[C@H](C=1)[C@H](N)C=CC(C(O)=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C11355 
M  END