Mol:BMCCID--k005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 15  0  0  1  0  0  0  0  0999 V2000 
    4.0878    0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.0878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9049   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7709   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7709    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9049    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0388    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  4  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  1  1  0  0  0  0 
  2  1  1  4  0  0  0 
  2  3  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5 13  1  0  0  0  0 
  6 14  1  0  0  0  0 
  5  6  2  0  0  0  0 
  2 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
 10 12  1  0  0  0  0 
  7  8  2  0  0  0  0 
 10 11  2  0  0  0  0 
S  SKP  7 
ID	BMCCID--k005 
NAME	2-Carboxy-2,3-dihydro-5,6-dihydroxy-indole 
FORMULA	C9H9NO4 
EXACTMASS	195.0531 
AVERAGEMASS	195.1721 
SMILES	OC(=O)C(C1)Nc(c2)c(cc(O)c(O)2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05604 
M  END