Mol:BMFYB6DAk008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 3 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
2.8660 0.2500 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 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
6 14 1 0 0 0 0
2 10 1 4 0 0 0
5 4 1 0 0 0 0
2 1 1 0 0 0 0
6 13 2 0 0 0 0
7 12 1 0 0 0 0
7 11 2 0 0 0 0
3 7 1 0 0 0 0
6 5 1 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
3 4 1 4 0 0 0
S SKP 7
ID BMFYB6DAk008
NAME Homoisocitric acid
FORMULA C7H10O7
EXACTMASS 206.0426
AVERAGEMASS 206.1501
SMILES OC(=O)CCC(C(O)=O)C(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05662
M END
</pre>
