Mol:BMFYS9DAp001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 0 0 0 0 0 0999 V2000 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 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 4.5981 0.7500 0.0000 C 0 0 0 0 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 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 8 7 1 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 6 14 2 0 0 0 0 2 15 1 0 0 0 0 S SKP 7 ID BMFYS9DAp001 NAME 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioic acid CAS_RN 6670-61-7 FORMULA C9H10O6 EXACTMASS 214.0477 AVERAGEMASS 214.1721 SMILES OC(=O)CCC(=O)C=CC=C(O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04479 M END