HMDB0031307 RDKit 3D Ethyl 3-oxohexanoate 25 24 0 0 0 0 0 0 0 0999 V2000 -2.7442 1.5291 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 0.5431 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 -0.8808 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3932 -1.2015 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -2.3640 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 -0.1979 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 -0.8235 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -2.0417 0.3469 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 -0.0279 0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.5435 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 0.6134 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 1.0299 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 2.2045 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 2.2138 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 0.8853 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 0.6500 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -1.2289 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 -1.5016 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 0.5612 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 0.3101 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -1.0801 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -1.2758 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 0.2205 -0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 1.0687 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0025 1.3378 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 6 19 1 0 6 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 M END