HMDB0031053 RDKit 3D (E)-6-Hexadecenoic acid 48 47 0 0 0 0 0 0 0 0999 V2000 4.6112 0.1084 2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 0.9452 1.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5154 1.6599 0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 1.1078 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5567 0.3073 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 -1.0147 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -1.7591 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -2.0035 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -2.7181 -1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 -2.0305 -1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -0.8112 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.2463 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4441 0.9687 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 1.5868 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1968 2.0327 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4606 1.0759 1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -0.1407 1.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5271 1.5573 2.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 0.1814 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 0.4747 2.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -0.9769 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 1.7299 2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0762 0.3238 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 2.4373 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 2.4542 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 0.4768 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 1.9557 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 0.2707 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 0.9113 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 -0.9596 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3359 -1.7100 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 -1.2160 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3871 -2.7668 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 -2.6115 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -1.0343 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 -3.7799 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4797 -2.8577 -2.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 -2.5574 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.1459 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 -0.0374 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 -1.0114 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 1.7264 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 0.7424 -2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5792 0.8531 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9119 2.4567 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1219 2.6973 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 2.8087 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3161 1.3226 3.2745 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 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 18 48 1 0 M END