Mol:BMACIDHO0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  1  0  0  0  0  0999 V2000 
    6.6958   -1.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7013   -1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2946   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0377    0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9037    1.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7698    0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7698   -0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9037   -0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0377   -0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3164   -0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473   -1.3767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.6691   -1.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9563   -2.3277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3601   -0.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9037    2.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  7  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  9  1  0  0  0  0 
  8  7  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 
 10 11  1  0  0  0  0 
 11 13  1  6  0  0  0 
 12 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 11 12  1  0  0  0  0 
  5 16  1  0  0  0  0 
S  SKP  7 
ID	BMACIDHO0001 
NAME	5-Hydroxy-L-tryptophan 
FORMULA	C11H12N2O3 
EXACTMASS	220.0847 
AVERAGEMASS	220.2246 
SMILES	OC(=O)[C@@H](N)Cc(c1)c(c2)c(ccc(O)2)n1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00643 
M  END