Mol:BMMCQN--0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 8 8 0 0 0 0 0 0 0 0999 V2000 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 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 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 8 2 0 0 0 0 1 7 2 0 0 0 0 S SKP 7 ID BMMCQN--0011 NAME Quinone FORMULA C6H4O2 EXACTMASS 108.0211 AVERAGEMASS 108.0947 SMILES O=c(c1)ccc(=O)c1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00472 M END
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