Mol:BMMCBZ2Pk004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 12  0  0  1  0  0  0  0  0999 V2000
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  4  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  1  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  1  0  0  0
  4 12  1  0  0  0  0
S  SKP  7
ID	BMMCBZ2Pk004
NAME	(S)-4-Hydroxy-mandelic acid
FORMULA	C8H8O4
EXACTMASS	168.0422
AVERAGEMASS	168.1467
SMILES	Oc(c1)ccc(c1)[C@H](O)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03198
M  END

</pre>