HMDB0264256 RDKit 3D PA(18:3(9Z,12Z,15Z)/18:1(12Z)-O(9S,10R)) 116116 0 0 0 0 0 0 0 0999 V2000 15.9502 1.5539 -1.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7631 2.2952 -2.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6127 1.3657 -2.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5041 1.6440 -1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2031 2.8326 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9028 2.7698 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9001 1.7196 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1885 0.3423 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1595 -0.6829 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 -0.5465 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1163 0.6434 1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 0.8621 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 -0.3292 0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -0.1355 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9904 -1.3680 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 -1.5942 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6646 -0.5001 1.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -0.3006 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -1.0105 -0.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 0.6771 1.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 0.9760 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8235 0.0822 0.9667 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6429 -1.3728 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 -1.9139 1.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -3.5840 1.4309 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2152 -4.2794 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 -3.9393 -0.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -4.1605 1.5159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0037 0.4120 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 0.9978 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 1.2491 2.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 1.3617 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 0.2969 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 -1.0507 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1415 -2.0474 -1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2876 -3.4438 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1784 -3.8565 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6341 -3.6425 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -2.3000 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0904 -1.2809 -0.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3122 -1.9044 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5185 -1.1794 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4768 -0.8682 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8789 0.3472 -1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3828 1.5413 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4895 2.3282 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5457 2.8121 -1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5823 3.5759 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8668 4.7284 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6095 0.7066 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5851 1.1406 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5908 2.2400 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0223 2.5096 -3.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5876 3.2486 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6651 0.3959 -3.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7105 0.8833 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8863 3.7022 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2169 3.2370 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6376 3.7805 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 1.9768 2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0058 0.0104 1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8289 0.1576 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4747 -1.7493 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2863 -1.5039 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6026 1.5739 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5392 0.3983 2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3569 0.9176 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4716 1.7918 0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -0.5347 1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6147 -1.2216 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -0.1032 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 0.7999 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 -2.2242 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -1.2693 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -2.4928 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 -1.9397 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2222 0.4653 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3948 -0.7984 2.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 0.9653 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 2.0518 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 0.4001 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4477 -1.7475 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -1.8916 1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 -3.4918 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -4.2802 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 2.3534 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 1.4131 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9211 0.2224 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6282 0.5158 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5389 -0.8988 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7571 -1.2643 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9474 -1.6641 -1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 -1.9770 -1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2104 -3.8165 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5308 -4.0701 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0606 -5.0106 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7586 -3.5849 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 -4.2121 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0873 -4.1983 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4591 -1.8732 1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4396 -2.5515 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2704 -0.3688 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0479 -1.9511 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9171 -1.7006 -1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6131 0.4708 -2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5112 1.3979 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0259 2.2502 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9712 1.6216 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0884 3.2218 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0481 3.5100 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0391 2.0075 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3762 3.9582 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9718 2.9394 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4803 4.4113 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5778 5.5559 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9911 5.0647 -0.1048 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 41 39 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 0 21 80 1 0 22 81 1 1 23 82 1 0 23 83 1 0 27 84 1 0 28 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 49116 1 0 M END