Mol:BMACID--r003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  1  0  0  0  0  0999 V2000 
    2.0000   -1.0141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4067   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4013   -0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752   -1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092   -3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431   -1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092   -1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0704    0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7614    1.4891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.4305    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7832    1.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4742    2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1215    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4087    2.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 11 10  1  0  0  0  0 
 15 12  2  0  0  0  0 
 12 11  1  0  0  0  0 
 11 13  1  6  0  0  0 
  3  9  1  0  0  0  0 
  3  2  2  0  0  0  0 
  9  8  2  0  0  0  0 
  2  1  1  0  0  0  0 
  8  1  1  0  0  0  0 
 10  3  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  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 
 12 16  1  0  0  0  0 
 13 14  1  0  0  0  0 
S  SKP  7 
ID	BMACID--r003 
NAME	L-2-Methyl-tryptophan 
FORMULA	C12H14N2O2 
EXACTMASS	218.1055 
AVERAGEMASS	218.2518 
SMILES	CN[C@H](C(O)=O)Cc(c1)c(c2)c(ccc2)n1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02983 
M  END