Mol:BMMCBZ3Sk053

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 13  0  0  0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -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  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    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
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 13  1  0  0  0  0
  5  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
 11 12  1  0  0  0  0
  3  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  7  8  1  0  0  0  0
  1  6  2  0  0  0  0
  6  5  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
S  SKP  7
ID	BMMCBZ3Sk053
NAME	Homovanillic acid
FORMULA	C9H10O4
EXACTMASS	182.0579
AVERAGEMASS	182.1733
SMILES	COc(c1)c(O)ccc(CC(O)=O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05582
M  END

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