KEGG:C04558 4-Carboxymethyl-3-methylbut-2-en-1,4-olide ISISHOST03240423102D 1 1.00000 0.00000 3938 11 11 0 0 0 999 V2000 -0.1172 -0.1621 0.0000 C 0 0 3 0 0 0 0 0 0 0.4862 0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0.1103 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8276 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 1.0966 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0.8655 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3310 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9828 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 1.8103 0.0724 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4207 1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6931 1.0379 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 2 5 1 0 0 0 3 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 5 6 1 0 0 0 M END