Mol:BMXXSX--n017
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 5 4 0 0 0 0 0 0 0 0999 V2000 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 -0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 3 4 1 0 0 0 0 1 3 1 0 0 0 0 S SKP 7 ID BMXXSX--n017 NAME Nitroethane FORMULA C2H5NO2 EXACTMASS 75.032 AVERAGEMASS 75.0666 SMILES CC[N+1]([O-1])=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01837 M END
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