HMDB0059936 RDKit 3D 5-Pentyl-1,4-dioxan-2-one 28 28 0 0 0 0 0 0 0 0999 V2000 3.8570 0.6189 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 1.3853 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 0.5544 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 -0.5596 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -1.3628 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -0.5702 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -1.5086 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -0.6457 1.0655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 0.5646 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 1.5836 0.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 0.6348 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -0.0003 -1.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.4724 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 -0.2977 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 1.2851 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 1.7895 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7582 2.2094 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5283 1.2188 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 0.1820 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9909 -1.2645 -0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -0.1307 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 -1.7515 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2236 -2.2458 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1794 0.2094 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7246 -2.1744 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -2.1051 1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 1.7059 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 0.2029 -1.6511 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 2 0 9 11 1 0 11 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 11 27 1 0 11 28 1 0 M END