Mol:BMFYB2ESs002

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BMFYB2ESs002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
  6  5  0  0  0  0  0  0  0  0999 V2000
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  3  2  0  0  0  0
  4  5  1  0  0  0  0
  2  1  1  0  0  0  0
  5  6  1  0  0  0  0
S  SKP  7
ID	BMFYB2ESs002
NAME	Ethyl acetic acid
FORMULA	C4H8O2
EXACTMASS	88.0524
AVERAGEMASS	88.1051
SMILES	CCOC(C)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00849
M  END

</pre>

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