HMDB0059937 RDKit 3D 6-Pentyl-1,4-dioxan-2-one 28 28 0 0 0 0 0 0 0 0999 V2000 -2.1468 1.1244 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -0.2709 0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 -1.3628 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -1.3155 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 -0.2110 -1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 -0.2674 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9013 0.9308 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 0.9440 -0.7866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 0.4682 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 0.3956 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 0.8603 2.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 -0.2032 0.5294 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 1.6790 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 1.3853 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 1.6663 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 -0.3440 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -0.5191 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -1.5858 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 -2.3169 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0446 -1.3482 -1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -2.2788 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 0.8044 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -0.3803 -2.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 -1.1712 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 0.9582 -2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 1.8273 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0154 1.1097 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 -0.5783 0.5353 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 M END