Mol:BMFYS7DAp006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 0 0 0 0 0 0999 V2000 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 6 7 1 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 4 10 2 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 2 11 2 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 S SKP 7 ID BMFYS7DAp006 NAME (E) -4,6-Dioxohept-2-enedioic acid CAS_RN 75164-74-8 FORMULA C7H6O6 EXACTMASS 186.0164 AVERAGEMASS 186.1189 SMILES OC(=O)C=CC(=O)CC(=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02514 M END