HMDB0032440 RDKit 3D Nonanal propyleneglycol acetal 38 38 0 0 0 0 0 0 0 0999 V2000 5.1075 -0.7094 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 0.4488 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8007 0.2417 0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 0.0496 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.1703 -1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 0.9501 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 0.7300 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 -0.4757 -1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 -0.4065 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 -1.5613 0.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 -1.3303 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 0.1756 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8864 0.7319 1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 0.6517 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 -1.6445 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 -0.8265 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0692 -0.5507 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 1.3671 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 0.5578 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 1.0986 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -0.6847 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.7964 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 0.9614 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -0.4297 -2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -1.0858 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 1.8611 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 1.1913 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5124 1.6209 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 0.6886 -2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 -1.4266 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6109 -0.5097 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7785 -0.3013 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -1.6328 1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0478 -1.8367 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2182 0.4050 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9491 1.8250 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 0.2566 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5881 0.5660 2.4618 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 1 0 12 13 1 0 12 14 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 M END