HMDB0039587 RDKit 3D 5-Hexyl-1,4-dioxan-2-one 31 31 0 0 0 0 0 0 0 0999 V2000 -4.4399 -1.2482 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7232 -0.0895 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2239 -0.2383 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5737 0.9585 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 0.8711 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 -0.3490 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 -0.3359 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 0.8849 1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 0.6725 0.7678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 -0.3246 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 -1.0063 0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 -0.5592 -1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -0.3192 -0.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 -1.1318 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 -1.2289 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 -2.1856 -0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 -0.0417 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0119 0.8733 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8493 -1.1971 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -0.2337 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 1.8541 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 1.0566 1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 1.7502 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 1.0011 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -1.2961 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 -0.4524 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -1.2069 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 0.9128 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 1.7855 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -1.5902 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 0.1414 -2.1069 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 13 1 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 12 30 1 0 12 31 1 0 M END