HMDB0296819 RDKit 3D DG(22:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0) 133133 0 0 0 0 0 0 0 0999 V2000 8.1762 3.3449 2.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2813 2.3227 2.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9104 1.5757 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5579 1.5152 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8109 2.2353 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 1.5019 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 0.5537 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 0.2317 -0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5288 -1.0292 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -1.5875 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6924 -2.7875 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5257 -3.6677 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2324 -4.9947 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2396 -5.7735 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9748 -5.4659 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9058 -5.6487 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0323 -4.7869 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -3.4150 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5922 -3.3710 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6862 -2.5248 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -1.5016 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 -1.5946 -2.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -1.5592 -2.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -1.0108 -2.9917 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 -2.0898 -0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 -2.0343 -0.8874 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9379 -3.4527 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -4.2260 0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -1.4190 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 -0.0958 0.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 0.9135 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 0.6468 -1.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 2.2633 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9649 2.9340 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 3.2237 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 2.1119 1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 2.7778 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 1.8235 1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1159 0.9858 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 1.7132 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4274 2.6314 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8375 2.2077 -1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3069 1.8315 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7575 1.3542 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7431 2.3454 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0978 1.7115 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5283 1.3184 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8789 0.6289 0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9980 1.4500 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2320 0.5326 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4635 1.1897 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5928 0.2048 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8558 -0.2681 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1779 2.9079 2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 4.1963 2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2896 3.7952 3.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1576 1.5878 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2588 2.7665 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9637 0.9747 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1068 0.9022 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6600 2.9882 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9788 2.9336 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8911 2.2911 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2868 0.1325 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9165 -1.7683 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5067 -0.7617 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6010 -0.9838 0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3668 -2.9912 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9652 -3.0419 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5271 -3.7095 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1026 -5.4781 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2857 -6.8328 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0191 -4.5117 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8696 -6.2439 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8544 -6.6380 -1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 -5.0053 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6598 -3.1926 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -2.6822 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 -4.0970 1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 -2.5382 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5391 -0.5158 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 -1.2752 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -2.5579 -2.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -0.8113 -3.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -1.4889 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -3.3158 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1714 -3.8038 -2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -4.2229 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3407 -2.0148 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -1.4889 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 2.1769 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 2.8968 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 3.9358 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 2.3609 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 3.9635 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 3.7737 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 1.4667 2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 1.4592 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 3.2632 2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9067 3.6262 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8989 2.4143 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 1.1145 2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 0.1380 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 0.4295 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 2.2592 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3807 0.9153 -2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 3.0974 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 3.5690 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9639 1.3131 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 2.9638 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7234 1.0550 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2844 2.7027 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9482 1.0996 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7814 0.3819 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7623 3.2023 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4782 2.8146 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0032 0.7620 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8631 2.3010 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5646 2.1902 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8250 0.6060 1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8048 -0.3813 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1239 0.4867 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2047 2.3371 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8660 1.7490 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9638 -0.3024 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3225 0.1067 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7191 2.1012 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2648 1.4788 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5021 0.7633 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3980 -0.6578 -0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9050 -0.0431 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2176 0.2199 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7427 -1.3912 1.2021 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 7 8 1 0 8 9 1 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 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 8 6 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 6 27 86 1 0 27 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END