Mol:BMSUM6Up--10
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 1 0 0 0 0 0999 V2000 4.5981 2.0000 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 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 1 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 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 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 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 1 7 1 0 0 0 0 3 10 1 6 0 0 0 4 5 1 0 0 0 0 4 11 1 6 0 0 0 5 6 1 0 0 0 0 6 13 1 0 0 0 0 5 12 2 0 0 0 0 S SKP 7 ID BMSUM6Up--10 NAME 2-Dehydro-L-idonic acid FORMULA C6H8O7 EXACTMASS 192.027 AVERAGEMASS 192.1235 SMILES OCC(=O)[C@@H](O)[C@H](O)C(=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02780 M END
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