Mol:BMFYB5DAk011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
2 3 1 0 0 0 0
5 10 2 0 0 0 0
5 11 1 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
1 2 1 0 0 0 0
3 9 1 0 0 0 0
1 7 2 0 0 0 0
6 12 2 0 0 0 0
8 1 1 0 0 0 0
6 13 1 0 0 0 0
S SKP 7
ID BMFYB5DAk011
NAME Citric acid
FORMULA C6H8O7
EXACTMASS 192.027
AVERAGEMASS 192.1235
SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00158
M END
</pre>
