Mol:BMMCBZ3Sk035
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 16 0 0 0 0 0 0 0 0999 V2000 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 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 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 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 3.7321 1.5000 0.0000 C 0 0 0 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 3.7321 -1.5000 0.0000 N 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 8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 11 1 0 0 0 0 8 7 1 0 0 0 0 5 4 1 0 0 0 0 7 6 2 0 0 0 0 4 3 1 0 0 0 0 6 5 1 0 0 0 0 3 2 1 0 0 0 0 5 10 2 0 0 0 0 2 1 1 0 0 0 0 10 9 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 7 12 1 0 0 0 0 4 15 2 0 0 0 0 9 8 2 0 0 0 0 2 16 2 0 0 0 0 S SKP 7 ID BMMCBZ3Sk035 NAME 4- (2-Amino-3-hydroxy-phenyl) -2,4-dioxobutanoic acid CAS_RN 857760-67-9 FORMULA C10H9NO5 EXACTMASS 223.048 AVERAGEMASS 223.1822 SMILES OC(=O)C(=O)CC(=O)c(c1)c(N)c(O)cc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05645 M END