KEGG:C04559 4-Carboxymethyl-4-methylbut-2-en-1,4-olide ISISHOST03240423102D 1 1.00000 0.00000 3939 11 11 0 0 0 999 V2000 -0.0966 -0.2586 0.0000 C 0 0 3 0 0 0 0 0 0 0.5724 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0.1621 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8828 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6793 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 1.2414 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0.9862 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0552 0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 2.0276 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4414 1.3552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8379 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 6 9 2 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 6 7 1 0 0 0 M END