Mol:BMFYB6CAi004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
2.8660 -2.5000 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 -1.0000 0.0000 C 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
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 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
1 10 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
3 12 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 13 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMFYB6CAi004
NAME 6-Acetamido-3-oxo-hexanoic acid
FORMULA C8H13NO4
EXACTMASS 187.0844
AVERAGEMASS 187.1931
SMILES CC(=O)NCCCC(=O)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03682
M END
