Mol:BMMCBZ2Ok022

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BMMCBZ2Ok022.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.7500    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 
    4.5981   -0.7500    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   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.7500    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 
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  8  2  0  0  0  0 
  9  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1 10  1  0  0  0  0 
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
  5 12  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Ok022 
NAME	3-(2-Hydroxy-phenyl)-propanoic acid 
FORMULA	C9H10O3 
EXACTMASS	166.0629 
AVERAGEMASS	166.1739 
SMILES	OC(=O)CCc(c1)c(O)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01198 
M  END
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