Mol:BMFYB7KTr001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 8 0 0 0 0 0 0 0 0999 V2000
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
6 8 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 9 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMFYB7KTr001
NAME 6-Methyl-5-hepten-2-one
FORMULA C8H14O
EXACTMASS 126.1044
AVERAGEMASS 126.1961
SMILES CC(C)=CCCC(C)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07287
M END
