Mol:BMCCID--o008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 14  0  0  1  0  0  0  0  0999 V2000 
    5.0485   -0.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6418    0.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5733   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5733   -2.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4394   -2.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3054   -2.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3054   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4394   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9781    1.0135    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.2872    1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6180    2.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10 12  1  4  0  0  0 
 11 13  2  0  0  0  0 
 10 11  1  0  0  0  0 
  5  4  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  9  4  1  0  0  0  0 
  8  9  2  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  8  1  0  0  0  0 
  9  3  1  0  0  0  0 
  3 10  1  0  0  0  0 
S  SKP  7 
ID	BMCCID--o008 
NAME	3-Indole-glycolaldehyde 
FORMULA	C10H9NO2 
EXACTMASS	175.0633 
AVERAGEMASS	175.184 
SMILES	O=CC(O)c(c1)c(c2)c(ccc2)n1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03230 
M  END