Mol:BMCCID--k026

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 16  0  0  1  0  0  0  0  0999 V2000 
    2.9781   -1.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2872   -0.6369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.2653   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5743    2.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9865    1.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5743    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3914    0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2574    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2574    1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3914    2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5254    1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5254    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473   -2.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6180    0.1063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  8  7  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 12  7  1  0  0  0  0 
 11 12  2  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4 11  1  0  0  0  0 
 12  6  1  0  0  0  0 
  6  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2 15  1  4  0  0  0 
  1 14  1  0  0  0  0 
  1 13  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  7 
ID	BMCCID--k026 
NAME	Indole-lactic acid 
FORMULA	C11H11NO3 
EXACTMASS	205.0738 
AVERAGEMASS	205.2099 
SMILES	OC(=O)C(O)Cc(c1)c(c2)c(ccc2)n1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02043 
M  END