Mol:BMMCHC--0028
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 10 10 0 0 1 0 0 0 0 0999 V2000 3.8660 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8660 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5000 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 9 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 6 1 4 0 0 0 5 10 1 4 0 0 0 1 7 2 0 0 0 0 S SKP 7 ID BMMCHC--0028 NAME Mevaldic acid FORMULA C6H10O4 EXACTMASS 146.0579 AVERAGEMASS 146.1412 SMILES OC(O1)CC(C)(O)CC(=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00772 M END
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