Mol:KOX00090
From Metabolomics.JP
Copyright: ARM PROJECT http://www.metabolome.jp/ 12 11 0 0 1 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 4.5981 -0.2500 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 3.7321 0.2500 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 10 1 2 0 0 0 0 1 2 1 0 0 0 0 2 7 1 6 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 1 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 S SKP 8 CAS_RN 1188-21-2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02710 NAME N-Acetyl-L-leucin ID KOX00090 FORMULA C8H15NO3 EXACTMASS 173.105193351 AVERAGEMASS 173.20964 SMILES CC(C)C[C@H](NC(C)=O)C(O)=O M END