HMDB0262079 RDKit 3D PE(18:2(9Z,11E)+=O(13)/20:2(11Z,14Z)) 130129 0 0 0 0 0 0 0 0999 V2000 10.8006 -0.4431 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 0.6019 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7767 0.7503 -3.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 1.2266 -4.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0966 1.3534 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 1.8262 -6.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 1.1634 -6.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 -0.1736 -6.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9655 -0.0772 -6.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 -0.4227 -5.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -0.9229 -4.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 -0.2251 -3.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 0.1409 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 1.1919 -3.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 1.4430 -2.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 2.5674 -2.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 2.7667 -2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 1.6084 -2.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 1.9752 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 1.0123 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 1.3879 -1.9633 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -0.2612 -0.8501 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0868 -1.0486 -0.9813 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5300 -1.6299 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6421 -2.6189 0.8297 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 -3.2249 2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8972 -2.8313 2.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0571 -4.2981 2.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5095 -4.5944 4.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -3.4520 5.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -3.2770 5.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 -2.1649 6.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7897 -0.8144 5.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 0.2796 6.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 0.2585 7.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 1.2296 6.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 2.4909 6.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 3.4522 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9967 4.7277 5.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 4.9218 4.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 5.7792 5.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 6.9400 4.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 6.6642 3.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 6.1934 2.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 4.9111 2.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 -2.1642 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7816 -2.9217 -1.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 -4.1636 -2.4285 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2360 -5.2772 -2.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -3.6437 -4.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 -4.7592 -1.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -3.7364 -1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.1750 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -3.0335 0.2613 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1461 -1.3308 -3.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8295 -0.6684 -3.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8617 -0.0618 -4.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3795 0.2874 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 1.5868 -3.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 1.4477 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2913 -0.2432 -2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1055 2.2197 -4.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 0.4898 -5.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7761 2.1719 -4.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5975 0.4593 -4.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 2.8403 -6.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 1.6559 -7.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -0.6990 -5.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -0.7880 -7.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 0.2857 -7.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -0.3115 -5.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 -1.3985 -4.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 -1.9156 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 -0.9545 -2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4873 0.6773 -2.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 0.4218 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 -0.7726 -2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 2.1727 -2.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 1.0428 -4.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 0.5224 -2.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 1.6364 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 3.5124 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 2.3136 -4.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 2.9827 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2015 3.6735 -2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 0.6441 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9749 1.5453 -3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1686 2.9740 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 2.1634 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8634 -0.4454 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5107 -2.1734 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7628 -0.8480 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0855 -5.2290 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 -3.9733 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 -5.4675 4.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6048 -4.7610 4.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6713 -3.7244 5.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -2.5278 4.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -4.2357 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 -3.0450 4.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8906 -2.2873 7.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -2.1516 6.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 -0.6034 4.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -0.7907 5.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8023 1.2583 6.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 0.0330 7.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -0.6572 7.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 1.0818 7.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 2.6874 5.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 3.2477 6.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 5.3406 5.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 6.1462 6.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2155 7.5195 5.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 7.7131 4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 7.6198 2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 5.9475 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 7.0321 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 6.1081 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 5.0567 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 4.2150 3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 4.4303 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7319 -2.7283 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 -1.7626 -2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 -2.7205 -3.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 -3.0288 -1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 -3.1466 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -4.9325 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 -4.4924 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 -2.1771 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -3.2069 1.2500 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 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 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 M END