Mol:BMFYB4CAf014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 8 0 0 0 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -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 S 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
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 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
2 1 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 9 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMFYB4CAf014
NAME 4-Methylthio-2-oxo-butanoic acid
FORMULA C5H8O3S
EXACTMASS 148.0194
AVERAGEMASS 148.1812
SMILES O=C(CCSC)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01180
M END
