Mol:BMACBZHOp003

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BMACBZHOp003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  4  3  1  0  0  0  0
  7  8  1  0  0  0  0
  3  2  2  0  0  0  0
  8  9  1  0  0  0  0
  2  1  1  0  0  0  0
  9 10  1  0  0  0  0
  1  6  2  0  0  0  0
  2 12  1  0  0  0  0
  6  5  1  0  0  0  0
  7 15  2  0  0  0  0
  9 11  1  4  0  0  0
  5 16  1  0  0  0  0
  5  4  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
S  SKP  7
ID	BMACBZHOp003
NAME	5-Hydroxy-kynurenine
FORMULA	C10H12N2O4
EXACTMASS	224.0797
AVERAGEMASS	224.2133
SMILES	OC(=O)C(N)CC(=O)c(c1)c(N)ccc(O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05651
M  END

</pre>

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