Mol:BMFYS8DAp002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
5.4641 2.7500 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
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
4 5 1 0 0 0 0
5 12 2 0 0 0 0
2 3 1 0 0 0 0
5 6 1 0 0 0 0
1 10 1 0 0 0 0
6 7 2 0 0 0 0
3 11 2 0 0 0 0
7 8 1 0 0 0 0
2 1 1 0 0 0 0
8 13 2 0 0 0 0
3 4 1 0 0 0 0
8 14 1 0 0 0 0
S SKP 7
ID BMFYS8DAp002
NAME 4-Maleyl-acetoacetic acid
FORMULA C8H8O6
EXACTMASS 200.032
AVERAGEMASS 200.1455
SMILES OC(=O)C=CC(=O)CC(=O)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01036
M END
</pre>
