Mol:BMCCID--k014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 16  0  0  0  0  0  0  0  0999 V2000 
    3.9563    1.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3685    0.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9563    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7734   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6394    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6394    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7734    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9074    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9074    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473   -0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6691   -1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3601   -1.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3715    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5054   -0.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  8  1  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 15  1  0  0  0  0 
 15 14  1  0  0  0  0 
  5  6  2  0  0  0  0 
  3 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
 10 11  1  0  0  0  0 
  7  8  2  0  0  0  0 
  9  4  2  0  0  0  0 
 11 13  1  0  0  0  0 
 11 12  2  0  0  0  0 
S  SKP  7 
ID	BMCCID--k014 
NAME	5-Methoxy-indole-acetic acid 
FORMULA	C11H11NO3 
EXACTMASS	205.0738 
AVERAGEMASS	205.2099 
SMILES	COc(c2)cc(c(c2)1)c(cn1)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05660 
M  END