Mol:BMCCID--i029

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 14  0  0  0  0  0  0  0  0999 V2000 
    3.2872    0.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6994   -0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2872   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1042   -1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9703   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9703    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1042    0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2382    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2382   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9781    1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473    2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9781   -2.1316    0.0000 O   0  0  0  0  0  0  0  0  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 13  1  0  0  0  0 
  1 10  1  0  0  0  0 
 10 12  2  0  0  0  0 
 10 11  1  0  0  0  0 
S  SKP  7 
ID	BMCCID--i029 
NAME	1- (3-Hydroxyindol-1-yl) ethanone 
CAS_RN	 33025-60-4 
FORMULA	C10H9NO2 
EXACTMASS	175.0633 
AVERAGEMASS	175.184 
SMILES	CC(=O)n(c1)c(c2)c(ccc2)c(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02298 
M  END