Mol:BMMCPYXXp007
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 0 0 0 0 0 0999 V2000
2.8660 -0.5000 0.0000 N 0 0 0 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
4.5981 -0.5000 0.0000 N 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 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 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
5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
2 8 2 0 0 0 0
4 9 2 0 0 0 0
5 7 1 0 0 0 0
6 10 2 0 0 0 0
S SKP 7
ID BMMCPYXXp007
NAME 5-Methyl-barbituric acid
FORMULA C5H6N2O3
EXACTMASS 142.0378
AVERAGEMASS 142.1128
SMILES CC(C(=O)1)C(=O)NC(=O)N1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05281
M END
</pre>
