Mol:BMMCLA--k015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 10 10 0 0 1 0 0 0 0 0999 V2000 3.5878 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0878 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 -1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 2 3 1 0 0 0 0 2 1 1 4 0 0 0 1 5 1 0 0 0 0 4 3 2 0 0 0 0 5 10 2 0 0 0 0 2 6 1 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 S SKP 7 ID BMMCLA--k015 NAME Mucono-lactone FORMULA C6H6O4 EXACTMASS 142.0266 AVERAGEMASS 142.1094 SMILES OC(=O)CC(C=1)OC(=O)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04105 M END
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