Mol:BMMCBZ3Sk014

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 13  0  0  0  0  0  0  0  0999 V2000
    4.5981    2.0000    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
    3.7321    0.5000    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   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    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
    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 O   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
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  9  8  2  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
  3  4  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
S  SKP  7
ID	BMMCBZ3Sk014
NAME	3-(2,3-Dihydroxy-phenyl)-propanoic acid
FORMULA	C9H10O4
EXACTMASS	182.0579
AVERAGEMASS	182.1733
SMILES	OC(=O)CCc(c1)c(O)c(O)cc1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04044
M  END

</pre>