Mol:BMFYS7CAp001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 11 10 0 0 0 0 0 0 0 0999 V2000 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 5 4 2 0 0 0 0 1 8 2 0 0 0 0 3 2 2 0 0 0 0 1 9 1 0 0 0 0 5 6 1 0 0 0 0 2 10 1 0 0 0 0 6 7 1 0 0 0 0 4 3 1 0 0 0 0 6 11 2 0 0 0 0 S SKP 7 ID BMFYS7CAp001 NAME (2E,4Z) -2-Hydroxy-6-oxohepta-2,4-dienoic acid CAS_RN 74293-65-3 FORMULA C7H8O4 EXACTMASS 156.0422 AVERAGEMASS 156.136 SMILES CC(=O)C=CC=C(O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06210 M END