Mol:BMMCBZ3Sk044

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 13  0  0  0  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
    2.8660   -0.5000    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
    3.7321   -2.0000    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
    4.5981   -0.5000    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
    4.5981    1.5000    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
    3.7321    3.0000    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
    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  6  5  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
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
S  SKP  7
ID	BMMCBZ3Sk044
NAME	Caffeic acid
FORMULA	C9H8O4
EXACTMASS	180.0422
AVERAGEMASS	180.1574
SMILES	OC(=O)C=Cc(c1)cc(O)c(O)c1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01197
M  END

</pre>