Mol:BMFYB6DAk001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 0 0 0 0 0 0 1 V2000 21.0312 -4.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0312 -5.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8764 -6.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8764 -7.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0312 -8.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1621 -7.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7216 -5.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5668 -6.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5668 -7.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8764 -3.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1860 -3.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7216 -8.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4120 -8.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1621 -6.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3079 -8.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 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 3 7 1 0 0 0 0 7 8 2 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 8 9 1 0 0 0 0 4 5 2 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 5 6 1 0 0 0 0 3 4 1 0 0 0 0 S SKP 8 AUTODRAW false ID BMFYB6DAk001 NAME (2Z,5Z) -4- (2-Hydroxy-2-oxoethylidene) hepta-2,5-dienedioic acid CAS_RN 950761-62-3 FORMULA C9H8O6 EXACTMASS 212.032 AVERAGEMASS 212.1562 SMILES OC(=O)C=CC(C=CC(O)=O)=CC(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04366 M END
