HMDB0012328 RDKit 3D Palmitelaidic acid 48 47 0 0 0 0 0 0 0 0999 V2000 -7.5166 1.0396 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 0.0330 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 0.7619 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9723 -0.1162 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 -1.2720 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -2.1648 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 -1.3817 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -1.1636 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 -0.3709 0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 0.1580 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 1.0254 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 0.6218 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 0.2682 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3847 -0.0860 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 1.0043 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 0.4899 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 0.4242 1.5274 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3362 0.0670 -0.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1101 1.7266 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3836 0.4580 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8177 1.5763 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4312 -0.7759 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6799 -0.3782 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1311 1.6616 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 1.1069 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -0.4452 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 0.5365 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -0.8529 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7934 -1.8682 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 -2.5953 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -2.9895 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -0.9584 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -1.5764 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 0.3589 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 -1.1690 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -0.7258 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0841 0.7371 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 2.0276 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 1.4700 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 1.5175 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 -0.1999 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -0.5791 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 1.1296 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -0.2994 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 -1.0085 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2443 1.8710 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 1.3374 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9016 -0.4313 -1.4688 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 2 0 8 9 1 0 9 10 1 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 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 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 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