Mol:BMFYB6DAk006

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BMFYB6DAk006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 12  0  0  0  0  0  0  0  0  1 V2000
   22.9278  -10.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9278  -13.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5345  -15.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5345  -17.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9278  -19.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9278  -21.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1411  -13.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3212   -9.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5345   -9.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3212  -23.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5345  -23.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7477  -15.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1411  -10.9433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
  3  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1  8  2  0  0  0  0
  2  1  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  3  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  5  6  1  0  0  0  0
S  SKP  7
ID	BMFYB6DAk006
NAME	cis-Homoaconitic acid
FORMULA	C7H8O6
EXACTMASS	188.032
AVERAGEMASS	188.1348
SMILES	OC(=O)CCC(=CC(O)=O)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04002
M  END

</pre>

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