HMDB0262491 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)+=O(15)/20:4(8Z,11Z,14Z,17Z)) 128127 0 0 0 0 0 0 0 0999 V2000 9.8555 5.9997 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7461 5.0657 -1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8321 4.6926 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6108 3.4879 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3199 2.3017 -0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 1.4242 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 0.1967 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7902 -0.6477 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9247 -0.2868 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -0.2300 2.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 -0.5263 2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4303 0.6873 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3225 1.3722 3.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2033 1.0963 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 0.8531 3.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -0.3229 4.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -0.4541 4.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3471 -0.6015 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 -1.8614 3.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -1.9952 1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 -1.7403 0.7719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -2.3829 2.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 -2.4477 0.9799 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6458 -1.3210 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -0.1210 1.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 1.0880 1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 1.1232 1.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 2.3084 1.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 3.5855 2.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 4.0602 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 4.0579 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 3.4656 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 2.7191 -1.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 3.4099 -3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 2.7281 -4.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 1.2693 -4.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3352 0.7728 -5.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2166 -0.0392 -4.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 -0.6092 -3.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1107 -1.4380 -2.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1453 -2.0533 -1.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1115 -2.8794 -1.4136 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1891 -1.8202 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6543 -2.4880 0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9463 -1.9723 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -0.4951 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9373 -0.1785 2.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -3.7509 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -3.7962 -0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 -5.2406 -0.3681 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8009 -5.4047 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 -5.0421 -1.6787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0104 -6.5506 -0.6937 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 -6.2556 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 -7.4166 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 -6.9729 -3.1093 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4957 5.5224 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 6.9336 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4954 6.3435 -1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 4.3080 -2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 5.7785 -2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 5.4928 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 3.2909 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9484 2.6569 -1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9132 1.9118 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 1.9261 -2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 -0.2893 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 -1.2515 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 -1.5481 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 -0.0678 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8299 0.0548 2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 -0.8416 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9868 -1.3889 3.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1696 1.0120 4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1644 2.2704 4.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4293 0.3655 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0521 2.0765 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 1.7813 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.8235 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 -0.1953 5.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 -1.2272 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 -1.2509 5.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 0.5046 5.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 0.2519 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -0.6613 4.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 -2.7522 3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 -1.7980 2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -2.2193 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -1.2774 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 -1.6240 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1161 2.4112 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 2.0523 2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 4.3893 2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 3.4554 2.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 5.1014 0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 3.4062 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3939 4.6045 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 3.4496 -2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 1.7109 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 2.8316 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2944 4.5007 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 3.2713 -5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8514 0.6658 -3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 1.1746 -5.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 1.1661 -6.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0725 -0.3202 -5.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3661 -0.3718 -2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9059 -1.6677 -3.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1883 -2.1643 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0464 -0.7099 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8308 -2.4808 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 -3.5758 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7556 -2.1095 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2730 -2.5060 2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9513 -0.2444 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7661 0.1487 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4158 0.7753 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -1.0563 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5037 -0.0796 3.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -4.6243 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 -3.9061 1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6084 -5.2591 -2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 -5.9339 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -5.4446 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 -8.2725 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 -7.7613 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -5.9946 -2.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -6.9165 -3.9873 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 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 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 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 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 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 47119 1 0 48120 1 0 48121 1 0 52122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 M END