HMDB0031223 RDKit 3D Enol-3-Ethyl-1,2-cyclopentanedione 19 19 0 0 0 0 0 0 0 0999 V2000 2.4262 0.2854 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4447 -0.7568 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.2848 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3047 0.8617 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 1.9215 0.7851 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 0.9113 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 1.8990 0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3326 -0.3818 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 -1.1426 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2457 1.2128 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -0.1276 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2966 0.5045 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -1.7395 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -0.9276 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 2.3782 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -0.2529 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -0.9393 0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 -1.3078 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -2.1136 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 3 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 5 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 M END