Mol:BMFYB2ESs002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
6 5 0 0 0 0 0 0 0 0999 V2000
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 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 3 2 0 0 0 0
4 5 1 0 0 0 0
2 1 1 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMFYB2ESs002
NAME Ethyl acetic acid
FORMULA C4H8O2
EXACTMASS 88.0524
AVERAGEMASS 88.1051
SMILES CCOC(C)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00849
M END
