Mol:BMSUM6Up--12
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 12 11 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 1 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 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 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 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 2.0000 -0.5000 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 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 2 0 0 0 0 1 2 1 0 0 0 0 2 8 1 6 0 0 0 2 3 1 0 0 0 0 3 9 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 S SKP 7 ID BMSUM6Up--12 NAME 5-Dehydro-4-deoxy-D-glucuronic acid FORMULA C6H8O6 EXACTMASS 176.032 AVERAGEMASS 176.1241 SMILES O=C[C@H](O)[C@@H](O)CC(=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04053 M END