Mol:BMFYB4ESq009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 3 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 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 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 4 14 1 0 0 0 0 4 13 2 0 0 0 0 3 4 1 0 0 0 0 2 7 1 4 0 0 0 3 12 1 4 0 0 0 14 8 1 0 0 0 0 8 9 1 0 0 0 0 10 5 1 0 0 0 0 5 6 1 0 0 0 0 S SKP 7 ID BMFYB4ESq009 NAME Diethyll (2R,3R) -2-hydroxy-3-methylbutanedioic acid CAS_RN 107494-30-4 FORMULA C9H16O5 EXACTMASS 204.0997 AVERAGEMASS 204.2203 SMILES CCOC(=O)C(C)C(O)C(=O)OCC KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04586 M END