Mol:BMCCID--j013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  0  0  0  0  0  0999 V2000 
    2.0000    1.0141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4067    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4013    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0704   -0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7614   -1.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4305   -2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3412    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7832   -1.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4087   -2.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1215   -3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  8  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  9  3  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5 13  1  0  0  0  0 
  3 10  1  0  0  0  0 
  5  6  2  0  0  0  0 
 10 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
 11 12  1  0  0  0  0 
  7  8  2  0  0  0  0 
 11 14  2  0  0  0  0 
  9  4  2  0  0  0  0 
  9  8  1  0  0  0  0 
 12 15  1  0  0  0  0 
 12 16  2  0  0  0  0 
S  SKP  7 
ID	BMCCID--j013 
NAME	5-Hydroxy-indole-pyruvic acid 
FORMULA	C11H9NO4 
EXACTMASS	219.0531 
AVERAGEMASS	219.1935 
SMILES	Oc(c2)cc(c(c2)1)c(cn1)CC(=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05646 
M  END