Mol:BMFYB4CAr011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 7 6 0 0 0 0 0 0 0 0999 V2000 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 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 2.0000 1.5000 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 3.7320 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 0 0 0 0 3 4 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 6 2 0 0 0 0 S SKP 7 ID BMFYB4CAr011 NAME 3-Methyl-butanoic acid FORMULA C5H10O2 EXACTMASS 102.068 AVERAGEMASS 102.1317 SMILES CC(C)CC(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C08262 M END