HMDB0039582 RDKit 3D 6-Hexyl-1,4-dioxan-2-one 31 31 0 0 0 0 0 0 0 0999 V2000 -1.9363 1.5260 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 0.5757 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4021 -0.7727 0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 -1.6499 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6412 -1.2229 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -1.1336 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 -0.6864 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9815 -0.5621 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 0.4657 1.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 1.7156 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.6758 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 2.7336 -1.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 0.5668 -1.2448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2136 2.5908 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 1.5254 -1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8698 1.3608 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3267 1.1115 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 0.5060 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 -1.3148 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -0.7297 1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 -2.7055 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 -1.7435 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 -2.0736 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 -0.3471 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -0.4853 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -2.1545 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 -1.3833 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 -0.4442 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 -1.5114 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 2.3485 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7759 2.2182 0.3718 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 1 0 11 12 2 0 11 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 10 30 1 0 10 31 1 0 M END