Mol:BMFYB5ALr001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
7 6 0 0 0 0 0 0 0 0999 V2000
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 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
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 7 2 0 0 0 0
4 5 1 0 0 0 0
S SKP 7
ID BMFYB5ALr001
NAME 4-Methyl-pentanal
FORMULA C6H12O
EXACTMASS 100.0888
AVERAGEMASS 100.1588
SMILES O=CCCC(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02373
M END
