Mol:BMMCBZ3Sm028

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 13  0  0  0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3 12  1  0  0  0  0
  5  4  2  0  0  0  0
  2 10  1  0  0  0  0
  4  3  1  0  0  0  0
  1  7  1  0  0  0  0
  3  2  2  0  0  0  0
  7  8  1  0  0  0  0
  2  1  1  0  0  0  0
  8  9  1  0  0  0  0
  1  6  2  0  0  0  0
  9 11  1  0  0  0  0
  6  5  1  0  0  0  0
  7 13  2  0  0  0  0
S  SKP  7
ID	BMMCBZ3Sm028
NAME	3-Hydroxy-kynurenamine
FORMULA	C9H12N2O2
EXACTMASS	180.0898
AVERAGEMASS	180.2038
SMILES	NCCC(=O)c(c1)c(N)c(O)cc1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05636
M  END

</pre>