HMDB0281845 RDKit 3D PS(20:4(6E,8Z,11Z,14Z)-OH(5S)/18:3(9Z,12Z,15Z)) 129128 0 0 0 0 0 0 0 0999 V2000 -17.5631 1.9621 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2821 2.1058 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8538 0.7549 1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7065 0.2514 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7171 0.9756 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4885 1.0904 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3495 0.6018 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1202 -0.1391 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6240 -1.4880 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4749 -1.9384 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5871 -1.1334 -1.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2341 -0.8568 -1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5529 -2.1724 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1997 -1.9726 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 -1.1679 -1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0515 -1.8679 -2.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -3.2212 -2.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -3.0079 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 -2.8190 -2.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -2.9956 -0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5809 -2.7828 0.4443 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1401 -3.9828 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 -3.7211 1.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 -3.5586 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -3.6486 -0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6011 -3.2567 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -3.2162 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -2.9040 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 -1.5453 1.4835 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4581 -1.3831 2.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8043 -0.4767 0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4805 0.6750 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0612 1.6540 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5589 2.8438 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 3.4645 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3046 2.8579 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5754 2.5318 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 2.7470 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0785 1.4557 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3623 1.2306 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3653 2.1982 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1927 1.7085 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9468 0.4502 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9285 0.5807 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6282 -0.7609 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -1.5335 1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9054 -0.4429 0.5842 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 0.9845 1.4886 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7327 0.8176 2.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 1.2512 1.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 2.3195 0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7755 2.1311 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 3.4571 -1.2343 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4042 3.9832 -0.5385 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 3.2201 -2.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 3.4626 -3.0858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 2.7260 -3.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.2192 2.8657 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2912 1.8243 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1115 1.0760 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5763 2.6889 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5998 2.7199 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5663 0.1491 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4321 -0.7706 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6274 0.3958 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0587 1.9870 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6328 1.6436 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4895 0.7454 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4016 0.4920 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0578 -0.2825 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3010 -2.0891 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1639 -2.9725 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9976 -0.3022 -2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2822 -1.8651 -2.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 -0.2302 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3508 -0.2593 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1786 -2.7153 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4569 -2.7968 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8008 -2.9489 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -1.3779 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -1.0651 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7272 -0.1943 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -1.2479 -2.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 -1.9539 -2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -3.6891 -3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 -3.8896 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 -2.6659 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -4.8412 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 -4.1885 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4707 -2.2208 1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 -3.9400 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 -4.2510 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -2.5535 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6587 -2.9232 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4004 -3.6945 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2606 -1.4083 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2421 -0.4367 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0097 -0.6373 -0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2955 0.7841 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 1.3926 -1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1046 3.4791 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 4.0101 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 4.4154 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 2.6694 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 2.0748 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2275 3.5048 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9804 3.1820 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3664 0.6616 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 0.2161 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1092 2.3203 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0407 3.1936 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5838 1.5907 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9335 2.5113 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2844 -0.4167 0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5158 0.2019 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3954 0.7861 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7105 1.3147 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9236 -1.5931 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3038 -0.7077 -1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2598 -0.9915 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -1.4266 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 -1.6783 2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 1.1671 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 1.4343 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 1.7868 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4152 4.2180 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 4.1883 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1846 3.3090 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 1.7258 -3.5470 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 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 53 55 1 0 55 56 2 0 55 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 6 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 1 30 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 50123 1 0 52124 1 0 52125 1 0 53126 1 6 54127 1 0 54128 1 0 57129 1 0 M END