Mol:BMFYB4ALr002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
6 5 0 0 0 0 0 0 0 0999 V2000
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
3 5 1 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
S SKP 7
ID BMFYB4ALr002
NAME 3-Methyl-butanal
FORMULA C5H10O
EXACTMASS 86.0731
AVERAGEMASS 86.1323
SMILES O=CCC(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07329
M END
</pre>
