Mol:BMFYS9DAp001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 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
4.5981 -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
5.4641 1.2500 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 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 10 1 0 0 0 0
1 11 2 0 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
6 14 2 0 0 0 0
2 15 1 0 0 0 0
S SKP 7
ID BMFYS9DAp001
NAME 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioic acid
FORMULA C9H10O6
EXACTMASS 214.0477
AVERAGEMASS 214.1721
SMILES OC(=O)CCC(=O)C=CC=C(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04479
M END
</pre>
