HMDB0246833 RDKit 3D Octadec-5-enoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -4.1444 2.7355 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2129 1.8756 -2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 0.4558 -1.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4403 -0.2023 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0753 -1.5886 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -1.9772 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5377 -1.7884 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 -2.3695 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 -1.6540 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 -2.1219 1.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 -1.3781 3.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 0.0964 2.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 0.3978 2.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 1.0034 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 1.2771 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 0.5763 -1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 0.8986 -1.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0714 2.3454 -2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 2.9143 -2.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 3.0984 -1.3611 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 2.7011 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9907 2.5344 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2694 3.7945 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2447 1.7565 -2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 2.2606 -3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -0.0894 -2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 0.6837 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5372 -0.2020 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 0.4154 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 -2.2138 -1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9097 -2.0583 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 -3.0744 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -1.4646 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 -2.3415 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -0.7406 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 -2.1485 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 -3.4504 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 -1.8885 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 -0.5804 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -1.8887 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -3.2138 2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 -1.7304 3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 -1.5870 3.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 0.6383 3.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 0.5012 2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 0.1080 2.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.2973 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 2.3584 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 0.9469 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 0.9612 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -0.5102 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 0.4145 -2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 0.4626 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8326 2.7532 -1.0053 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 13 14 2 3 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END