HMDB0284732 RDKit 3D PE(DiMe(11,3)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 135135 0 0 0 0 0 0 0 0999 V2000 17.7597 -0.6304 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3591 -0.8582 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3440 -0.3814 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4682 0.5325 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2873 1.2736 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8178 0.8770 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4847 1.5235 2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9577 0.9073 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2081 0.8952 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4343 1.2471 -2.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7583 0.2514 -2.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8982 0.1801 -4.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 -0.2579 -3.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9434 -0.7523 -2.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6162 -1.0168 -1.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 0.0352 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5107 -0.2792 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 -1.5666 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 -1.5473 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 -0.8955 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 -0.1147 2.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.4083 1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 1.3963 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 0.6318 1.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 1.9770 0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1718 1.5714 -0.1251 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2589 1.2346 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 0.6916 -1.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 0.8337 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 1.9765 -1.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 -0.2652 -2.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8425 -0.9738 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 -2.1009 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -1.7016 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9814 -0.9697 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4996 0.2674 0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5118 0.7098 1.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8355 1.0803 1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7818 1.4071 2.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0899 1.9156 2.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8610 1.0982 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0842 1.4066 -0.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8088 0.5084 -0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2446 0.5438 -2.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5600 -0.4117 -3.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0707 -0.0832 -3.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0988 -0.4708 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9125 -1.6841 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4880 -0.0812 1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5207 -0.8807 2.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 2.2206 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 1.5518 0.8348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 1.1944 2.5663 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5872 0.9580 2.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 2.4446 3.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -0.1855 2.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 -1.3934 2.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -2.4263 2.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0729 -2.3084 1.4275 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3894 -0.3059 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7785 0.1524 -1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1791 -1.5767 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2018 -1.9755 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1886 -0.4755 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3276 -0.8295 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7531 0.8218 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9070 0.9224 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2439 2.3627 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0448 -0.2091 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0848 2.3811 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1258 -0.1322 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5157 2.3665 -1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3394 2.2066 -2.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9176 -0.6943 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 -0.2162 -5.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7959 1.2969 -4.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 -0.0953 -4.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 -1.0216 -2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 -1.9715 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5595 -1.4510 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6261 1.0815 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 0.5822 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 -2.4898 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9222 -1.6059 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -2.1242 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5655 -0.9111 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6788 -0.2762 2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 -0.3060 2.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3489 1.7432 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 1.8685 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.4760 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 0.6273 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 2.1797 -2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 -1.0918 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 0.0406 -2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0011 -0.2167 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7784 -1.3453 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -2.9022 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7625 -2.5791 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3146 -1.0402 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7707 -2.6775 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 -1.6872 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9893 -0.7205 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 1.0687 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 0.1428 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5771 -0.1270 2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1129 1.6031 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8984 1.9285 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3138 0.1849 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8740 0.5133 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2415 2.1983 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9353 2.9375 1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7184 2.1141 2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3517 0.3356 -2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0996 1.5629 -2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8592 -0.2079 -4.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7967 -1.4534 -2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9003 0.9823 -3.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5989 -0.6915 -3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6658 -0.4457 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2698 -1.8071 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8115 -1.6207 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2933 -2.5223 0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9896 -0.2287 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1490 -1.7368 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5300 -1.2226 2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3202 2.3187 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9205 3.3076 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 2.1040 4.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -1.6573 3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3342 -1.6629 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -3.4356 2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -2.1447 3.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 -2.3552 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -1.6806 1.3814 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 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 43 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 49 41 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 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 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 48121 1 0 48122 1 0 48123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 55129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 59134 1 0 59135 1 0 M END