HMDB0285041 RDKit 3D PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/DiMe(9,3)) 129129 0 0 0 0 0 0 0 0999 V2000 15.7175 4.0925 -3.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3785 3.3871 -3.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5295 1.9331 -3.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9668 1.1139 -2.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1009 1.5424 -1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7416 1.0015 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1887 0.2274 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9275 -0.1816 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9991 -1.6928 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4732 -2.3836 1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 -1.8685 2.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 -2.3362 2.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3462 -1.5401 2.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4156 -0.1404 2.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 0.6110 2.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 0.3864 2.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 1.0712 3.8494 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2715 -0.9113 2.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 -0.5860 2.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 -0.7745 1.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -1.3442 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 -0.3594 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 0.0040 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 0.9093 0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 -0.6131 -1.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -0.2046 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -0.5992 0.1146 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3024 -2.1364 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 -2.5750 -0.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 -4.2416 -0.9807 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1492 -4.6669 -2.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -4.7871 -1.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 -4.9304 0.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 -6.1736 0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 -6.9043 1.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 -8.1885 1.9237 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -0.1318 0.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 0.6775 1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7456 0.9356 2.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0501 1.2448 1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1906 1.0715 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 1.7011 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1293 1.6232 -1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5727 0.2334 -1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7736 0.0402 -2.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0946 0.4600 -2.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4430 1.8344 -1.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9216 1.9028 -1.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8866 2.3994 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0359 2.2971 -1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3501 2.7685 -1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7589 4.0651 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7153 5.1505 -1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8263 1.6895 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8384 1.3831 0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4735 1.4431 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7064 0.7945 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5296 3.5710 -3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0082 4.1206 -2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6842 5.1334 -3.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6781 3.8143 -2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0272 3.7732 -4.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1784 1.5285 -4.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1772 0.0262 -2.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9759 2.6638 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6456 1.3374 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1595 1.2851 -2.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1431 -0.1487 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9533 0.2158 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3962 0.2251 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5325 -2.1523 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5654 -3.4868 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8507 -0.8243 2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2397 -2.3153 3.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2442 -3.4363 2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -2.0540 2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4117 0.3323 2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6331 1.7148 2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4887 1.0536 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4517 2.0416 3.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -1.3675 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 -1.6121 3.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5004 -0.1596 3.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -0.4846 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 -1.8137 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 -2.1725 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -0.8673 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 0.5704 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 -0.7648 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 0.8922 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -0.2417 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -2.5293 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7472 -2.4559 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -4.1912 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -5.9112 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -6.8362 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 -6.3160 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -7.0931 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7146 -8.6950 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 -8.0836 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3184 0.7890 2.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 2.3422 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0813 1.5581 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 -0.0368 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 1.2030 -0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6221 2.7489 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7163 2.0809 -2.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8519 2.3465 -1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 -0.2344 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5736 -0.4151 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5226 0.4967 -3.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7930 -1.0681 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4098 -0.2038 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8488 0.1116 -2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3183 2.5785 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9776 2.2655 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3193 2.9003 -3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1382 2.0197 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6992 4.4073 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9356 3.9236 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9271 5.9597 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8014 5.5623 -2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6922 4.7594 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8414 1.1348 0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5102 0.5635 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9475 2.2895 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6678 1.1774 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7581 -0.3252 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1011 1.0546 1.9270 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 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 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 48 2 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 1 28 92 1 0 28 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 53123 1 0 55124 1 0 55125 1 0 55126 1 0 57127 1 0 57128 1 0 57129 1 0 M END