KEGG:C05126 Dimethyl citraconate ISISHOST03240423112D 1 1.00000 0.00000 4349 11 10 0 0 0 999 V2000 -0.4828 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0.5483 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6793 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3276 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 1.7448 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7172 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8310 -1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 2.7828 -0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 1.8966 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9172 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 3.9862 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 2 0 0 0 5 8 1 0 0 0 5 9 2 0 0 0 6 10 1 0 0 0 8 11 1 0 0 0 M END