Mol:BMFYB4DAi007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 0 0 0 0 0 0999 V2000 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 1 1 0 0 0 0 4 12 1 0 0 0 0 4 11 2 0 0 0 0 3 4 1 0 0 0 0 7 13 2 0 0 0 0 S SKP 7 ID BMFYB4DAi007 NAME 2-(Acetamido-methylene)-succinic acid FORMULA C7H9NO5 EXACTMASS 187.048 AVERAGEMASS 187.1501 SMILES CC(=O)NC=C(CC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01215 M END
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