HMDB0030965 RDKit 3D 9-Octadecenal 53 52 0 0 0 0 0 0 0 0999 V2000 4.7972 -2.0846 2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -1.0713 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 0.1732 1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 1.1944 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 1.8594 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 1.0923 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 0.2659 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 -0.4869 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 0.5380 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 0.5618 -1.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 1.5868 -1.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 1.2270 -2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 0.4783 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 -0.8653 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5151 -1.4491 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 -0.6390 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -1.3011 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3282 -0.4856 3.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7235 0.5346 3.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9456 -1.5165 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 -2.7174 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 -2.7318 2.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.9005 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9499 -1.5930 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 -0.1362 1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 0.6271 2.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 0.8143 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9487 2.0390 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 2.7031 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 2.4851 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 0.6612 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 1.9108 -0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 0.9577 -2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 -0.4655 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.1208 -2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 -1.1186 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 1.3021 -2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 -0.1976 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 2.3509 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 2.2328 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 0.6987 -3.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4138 2.1713 -2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7311 0.4399 -1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 1.1215 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4844 -0.8591 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -1.5590 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1994 -2.4776 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3972 -1.4655 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 -0.6416 2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 0.4137 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6353 -2.3090 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8858 -1.4561 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -0.7925 3.9191 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 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 M END