HMDB0113082 RDKit 3D PE-NMe(16:1(9Z)/24:0) 146145 0 0 0 0 0 0 0 0999 V2000 -15.1333 1.6946 0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7288 3.1361 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1455 3.5633 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9163 2.7301 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3021 3.1712 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0721 2.2770 -2.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2035 2.5115 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8333 1.5713 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1902 0.1613 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0906 -0.8237 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1838 -0.7519 -1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 0.4911 -1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4836 0.7851 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7095 2.0535 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7968 2.0689 -1.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 0.9526 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0168 -0.1751 -2.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 1.1023 -1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 0.1007 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 -1.0699 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0309 -0.6466 1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7797 -1.7418 1.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6593 -1.3304 3.0483 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3765 -0.0133 2.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7103 -1.0443 4.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 -2.4551 3.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2733 -3.0994 2.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3619 -4.1008 2.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9329 -5.1327 3.3161 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0399 -6.0678 3.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 -2.1243 0.1857 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -3.4014 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6056 -3.5844 -0.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -4.5498 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 -4.2276 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -3.5536 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 -3.2562 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1972 -2.3579 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 -0.9770 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9759 -0.2406 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 -0.1966 -1.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 0.4843 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 0.4737 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2581 -0.9007 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 -1.0926 -1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7168 -0.6773 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8841 0.7405 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1687 1.6436 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3914 1.2394 -1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 1.2307 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9444 2.6175 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 2.6296 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4138 2.2099 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6365 2.2323 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9355 3.5794 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1926 3.4494 2.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2746 1.0460 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5188 1.4401 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9094 1.4777 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9392 3.2911 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5662 3.8013 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8998 4.6389 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8803 3.4317 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1743 2.9298 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1268 1.6562 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8969 4.1892 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0149 3.0723 -2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3710 1.2615 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5752 2.7577 -3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8536 3.5551 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 1.9107 0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7273 -0.1044 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9757 -0.0203 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5124 -0.8847 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5905 -1.8418 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6867 -0.9526 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4416 -1.5958 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6625 0.2440 -2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8916 1.3784 -2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7866 -0.0704 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0243 0.8890 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4857 2.8709 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1765 2.2587 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 3.0496 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 1.9883 -2.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 -0.1663 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 0.5770 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 -1.5199 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 0.2014 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -0.3560 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -1.8033 4.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 -3.5202 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6817 -2.2988 1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5919 -4.6418 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2858 -3.5963 2.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0768 -5.5666 2.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6744 -6.9795 3.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4700 -6.3764 2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8098 -5.5677 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 -5.3643 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -4.9849 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 -3.6428 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3407 -5.1844 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 -4.2702 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 -2.6516 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -4.2050 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 -2.8629 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3075 -2.3655 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -2.8284 0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -1.0643 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9807 -0.4212 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5639 -0.7573 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 0.7939 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 0.3340 -2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 -1.2409 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 1.5666 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0103 -0.0050 0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 1.1607 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7901 0.9356 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8514 -1.5795 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 -1.3561 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9201 -2.1976 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9636 -0.6127 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6640 -1.2587 0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7244 -1.0183 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8805 0.7679 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1811 1.1873 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2984 2.6879 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 1.6392 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 0.1906 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4749 1.9379 -2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 0.9116 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6214 0.4679 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 2.8841 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9708 3.3654 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1266 1.9578 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 3.6730 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6309 2.9255 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3163 1.1682 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4484 1.5349 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5440 1.8706 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1278 3.9542 1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1731 4.3375 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9353 3.0947 3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8376 2.7100 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6630 4.4525 2.0655 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 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 20 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 30 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 56146 1 0 M END