Mol:BMFYB4DAs013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 12 11 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 3.7320 -0.5000 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 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 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 5.4641 -0.5000 0.0000 O 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 2.8660 -1.0000 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 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 4 1 0 0 0 0 3 4 1 4 0 0 0 3 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 1 1 0 0 0 0 2 10 2 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 S SKP 7 ID BMFYB4DAs013 NAME 2-Oxo-3-propan-2-ylbutanedioic acid CAS_RN 155909-30-1 FORMULA C7H10O5 EXACTMASS 174.0528 AVERAGEMASS 174.1513 SMILES CC(C)C(C(O)=O)C(=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04236 M END