Mol:BMMCHC--k009
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 11 11 0 0 1 0 0 0 0 0999 V2000 3.7601 -1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.5736 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2601 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 -0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9849 1.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1569 -1.3827 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 11 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 2 10 1 4 0 0 0 S SKP 7 ID BMMCHC--k009 NAME 2-Chloro-2,5-dihydro-5-oxofuran-2-acetic acid FORMULA C6H5ClO4 EXACTMASS 175.9876 AVERAGEMASS 176.5542 SMILES OC(=O)CC(Cl)(C=1)OC(=O)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04522 M END
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