HMDB0260708 RDKit 3D PE(14:1(9Z)/LTE4) 130129 0 0 0 0 0 0 0 0999 V2000 12.4587 -0.1209 -5.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1842 -1.3085 -4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 -1.5805 -3.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1260 -0.3820 -2.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7478 -0.6763 -1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8868 0.0266 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1756 1.1915 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 0.8029 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8300 1.9321 -1.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4002 1.6778 -1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 1.1190 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -0.2856 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9743 -0.6976 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 -0.6733 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.3598 -0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 -1.0325 1.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 -1.0185 1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7107 0.3997 1.0598 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8206 1.1284 2.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 2.3884 2.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 3.0884 3.9287 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2216 3.9019 4.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 4.0591 4.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 1.7875 5.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 1.7140 5.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 0.5434 6.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 0.7218 7.5945 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 0.1630 0.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 0.4545 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9493 0.9359 -1.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 0.2423 -1.2577 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2312 0.5578 -2.7159 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 -1.2450 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -2.0482 0.3331 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 -1.7495 1.5068 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1318 -2.2077 0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7625 -1.5898 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0365 -2.0783 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7056 -1.4885 -1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9666 -2.0158 -1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6505 -1.4863 -2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2133 -0.3045 -3.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0178 0.8909 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1326 1.1041 -3.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8931 0.2307 -2.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2589 -0.1209 -2.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1072 1.0877 -3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4320 0.5805 -3.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2830 1.7943 -3.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -0.5053 2.2750 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8203 0.6875 1.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 -0.3705 3.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1571 -0.4321 3.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9349 -0.2165 4.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 -1.2312 5.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 -1.1495 6.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4437 -2.3080 5.7544 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0846 0.7933 -5.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4690 -0.0015 -4.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2651 -0.3456 -6.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9959 -2.2340 -5.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 -1.1631 -4.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3146 -2.4518 -2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6879 -1.7003 -3.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2540 -0.3288 -2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7849 0.5604 -2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2631 -1.5587 -0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6679 -0.2714 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2370 2.0586 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3337 1.4764 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4722 0.7004 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5421 -0.0828 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9067 2.8052 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 2.3575 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 1.0022 -2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 2.6670 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.3228 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 1.7826 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -0.9086 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8823 -0.6307 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1905 -1.7420 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -0.0138 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -1.6813 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.3706 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 0.8349 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 0.4992 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 1.2852 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 4.2365 5.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 2.6433 6.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 1.6244 4.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 -0.3707 6.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7048 0.4917 7.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 0.6237 7.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 0.0160 8.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 0.8753 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 -0.1358 -3.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 1.4996 -2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 -1.4864 -1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -1.6748 -1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 -2.5629 2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6724 -3.0942 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 -0.7216 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5031 -2.9466 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 -0.6241 -1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3646 -2.9044 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6054 -1.9587 -3.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1401 -0.0345 -3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0367 -0.6115 -4.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6549 1.7664 -4.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6243 2.1260 -3.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1814 0.9007 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4559 -0.6211 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7733 -0.7355 -1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1670 -0.7666 -3.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6529 1.7630 -3.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2784 1.7090 -2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9178 -0.1475 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1233 0.0880 -4.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0856 2.1807 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0823 2.5450 -3.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3547 1.4784 -3.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -0.5489 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 1.4248 2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 0.5817 4.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -1.1690 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5103 -1.3628 2.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 0.4019 2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0254 -0.2382 4.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6953 0.7870 4.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -3.0654 6.3714 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 2 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 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 35 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 17 83 1 0 17 84 1 0 18 85 1 6 19 86 1 0 19 87 1 0 23 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 31 95 1 1 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 35100 1 1 36101 1 0 37102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 50122 1 1 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 57130 1 0 M END