Mol:BMMCBZ1Sn003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 10 10  0  0  1  0  0  0  0  0999 V2000
    3.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
  4  3  1  0  0  0  0
  3  2  2  0  0  0  0
  2  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  6  0  0  0
  8  9  3  0  0  0  0
S  SKP  7
ID	BMMCBZ1Sn003
NAME	(S)-Mandelo-nitrile
FORMULA	C8H7NO
EXACTMASS	133.0527
AVERAGEMASS	133.1473
SMILES	N#C[C@@H](O)c(c1)cccc1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02615
M  END

</pre>