Mol:BMMCACCHq018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 8 8 0 0 1 0 0 0 0 0999 V2000 3.7321 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 3 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 2.0000 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 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 4 0 0 0 3 4 1 0 0 0 0 1 8 1 4 0 0 0 S SKP 7 ID BMMCACCHq018 NAME Cyclohexane-1,2-diol FORMULA C6H12O2 EXACTMASS 116.0837 AVERAGEMASS 116.1582 SMILES OC(C1)C(O)CCC1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03739 M END
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