Mol:BMFYS7DAq001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
5 4 1 0 0 0 0
7 13 2 0 0 0 0
7 12 1 0 0 0 0
4 3 1 0 0 0 0
1 8 2 0 0 0 0
6 5 1 0 0 0 0
1 9 1 0 0 0 0
3 2 2 0 0 0 0
2 10 1 0 0 0 0
7 6 1 0 0 0 0
4 11 1 4 0 0 0
S SKP 7
ID BMFYS7DAq001
NAME 2,4-Dihydroxyhept-2-enedioic acid
FORMULA C7H10O6
EXACTMASS 190.0477
AVERAGEMASS 190.1507
SMILES OC(=O)CCC(O)C=C(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06201
M END
</pre>
