HMDB0059938 RDKit 3D 5-Butyl-1,4-dioxan-2-one 25 25 0 0 0 0 0 0 0 0999 V2000 -3.2885 0.8976 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -0.3204 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3984 -0.7554 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 0.3807 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 0.0464 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.2589 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 0.9082 0.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -0.3865 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 -0.5988 0.5017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 -1.4846 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.0730 0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 0.7514 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 1.8209 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8502 1.1352 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -1.1543 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5095 -0.0844 -1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 -0.9664 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.6750 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 0.6154 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 1.2673 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 -0.1391 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 1.7510 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 1.9904 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 -2.2939 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 -1.8918 1.5524 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 2 0 8 10 1 0 10 11 1 0 11 5 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 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 10 24 1 0 10 25 1 0 M END