Mol:BMFYS6SAq001
From Metabolomics.JP
(Difference between revisions)
Line 28: | Line 28: | ||
S SKP 7 | S SKP 7 | ||
ID BMFYS6SAq001 | ID BMFYS6SAq001 | ||
− | NAME (4S,5S)-4,5-Dihydroxy-2,6- | + | NAME (4S,5S) -4,5-Dihydroxy-2,6-dioxohexanoic acid |
+ | CAS_RN 25349-75-1 | ||
FORMULA C6H8O6 | FORMULA C6H8O6 | ||
EXACTMASS 176.032 | EXACTMASS 176.032 |
Latest revision as of 13:57, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 1 0 0 0 0 0999 V2000 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 4 10 1 1 0 0 0 5 11 1 6 0 0 0 2 9 2 0 0 0 0 6 12 2 0 0 0 0 S SKP 7 ID BMFYS6SAq001 NAME (4S,5S) -4,5-Dihydroxy-2,6-dioxohexanoic acid CAS_RN 25349-75-1 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+C04471 M END