HMDB0114553 RDKit 3D PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 15.6948 2.5435 -3.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6247 1.6209 -1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9483 0.3947 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8460 -0.0967 -1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1098 0.5737 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9986 -0.2783 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8929 -0.6955 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5244 -0.4778 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1487 0.2399 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4722 1.3385 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 2.1789 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0614 1.9147 1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 1.6848 2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 1.6612 2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9843 2.7540 2.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 3.7345 2.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1817 3.8735 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 3.9394 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 2.7572 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 1.4380 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 0.3481 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9767 0.6827 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 1.3946 0.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 0.2350 1.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 0.4830 1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.0793 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -1.5827 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.2557 0.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 -3.8993 0.3224 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4321 -4.3274 0.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 -4.2009 1.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -4.8182 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 -6.1714 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -7.0669 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -8.4366 -1.1097 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -8.6370 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 -8.7829 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 0.4358 0.9709 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 1.1547 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 1.2733 -1.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 1.7079 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5379 0.8380 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5795 -0.5242 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7733 -1.3155 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7868 -1.4945 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9442 -2.2724 -2.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2766 -1.5731 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3440 -0.2473 -2.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5454 0.9037 -1.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7585 1.1078 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0447 1.7817 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3514 3.0879 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5217 4.2748 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1136 4.2808 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5563 5.6832 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8166 3.5984 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5245 2.2113 -3.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7265 2.4117 -3.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2214 2.2222 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7076 1.3522 -1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4440 -0.1725 -3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4450 -1.0260 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7898 1.4610 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2337 1.1008 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9468 -0.5763 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9783 -1.3498 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1474 -1.6141 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -0.2566 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4676 -0.2359 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 1.6915 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3983 3.2253 0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8241 2.4876 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1010 1.9218 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2421 1.4925 3.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 1.6075 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 0.7100 2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 2.7120 3.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8637 4.5440 2.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 4.8918 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5328 3.0787 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 4.8445 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 4.0923 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 2.6736 2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 2.9875 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 1.1845 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.4851 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 -0.6156 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 0.2735 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 1.5660 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 0.0328 2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 0.1639 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 -1.8983 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -1.9152 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -3.8787 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -6.2719 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 -6.5138 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2005 -7.0508 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -6.8448 -1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -8.4089 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 -9.6982 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 -8.0263 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4149 -8.5428 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 -9.8799 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 -8.3076 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5033 2.6786 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5786 1.8752 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5173 0.8279 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5036 1.3487 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 -1.0940 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7364 -0.4304 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6813 -0.7941 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8015 -2.3129 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -0.4978 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8545 -2.0456 -1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0013 -3.3044 -1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -2.3345 -3.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0502 -2.2092 -2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3845 -1.5979 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2113 -0.2128 -3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5543 1.7908 -2.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8298 0.0613 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8785 1.5300 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8633 1.0655 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1889 1.7585 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4219 3.3961 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4723 2.9614 -1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5906 4.6023 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0265 5.1493 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4172 3.6021 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1171 4.2300 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1728 6.4306 -1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4885 5.7245 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6214 5.7744 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 37104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M END