HMDB0271955 RDKit 3D PG(i-20:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 142141 0 0 0 0 0 0 0 0999 V2000 2.9398 -7.1761 -5.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -7.4957 -3.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -8.0323 -3.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -7.4049 -1.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -6.1319 -1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -5.1755 -1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -4.0831 -2.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 -3.6672 -2.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 -3.5273 -4.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 -2.3937 -4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -1.1060 -4.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -0.1399 -4.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2013 0.9287 -5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 1.3143 -6.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 2.6780 -5.7646 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8658 3.0787 -6.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 3.0391 -4.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1135 2.6261 -3.5114 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 2.7112 -3.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 3.1831 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 2.8702 -1.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3959 3.3232 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1654 4.3412 -0.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 2.7611 0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2851 3.1499 1.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 2.2340 2.7781 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7510 0.8291 2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -0.0557 2.8255 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0145 -1.5950 2.0365 P 0 0 0 0 0 5 0 0 0 0 0 0 6.3679 -1.8072 1.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -2.7422 3.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -1.4712 0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 -1.3898 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 -1.1656 0.4804 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1761 -1.1384 1.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5598 0.2133 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 0.3737 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 2.4323 2.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 2.3640 3.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 2.1386 4.9899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 2.5406 3.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 2.0592 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 2.1610 5.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 1.4017 4.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 1.2576 4.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 2.4725 4.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 1.8817 4.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 2.8613 4.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 2.0526 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 1.3332 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1865 0.5041 2.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9541 -0.2066 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0946 -1.0643 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0182 -1.9289 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7780 -1.3881 -1.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4868 -0.7073 -2.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 -0.2792 -3.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1224 0.4053 -3.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4659 -1.5795 -4.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 -7.9071 -5.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -6.1442 -5.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 -7.1529 -5.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 -6.7069 -3.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 -8.3752 -3.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -8.9856 -3.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -7.8923 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -5.8435 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -6.4100 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -5.4959 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 -3.4004 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0568 -4.4343 -3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 -2.7245 -2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 -4.4156 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.4162 -5.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -0.7918 -5.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 -1.2023 -3.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -0.3435 -3.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 1.5788 -5.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 0.5849 -6.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 1.4363 -7.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 3.4090 -6.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 2.3203 -7.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 4.1846 -4.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0268 3.2281 -2.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 1.6496 -4.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 3.3362 -4.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 2.6927 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 4.2727 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7982 3.3164 -2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 1.7630 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 2.9257 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 4.2154 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 2.1203 3.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 0.6275 2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 0.8682 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3695 -2.4069 4.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3405 -2.3190 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5774 -0.4827 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -1.8757 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 -0.8823 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 1.0372 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 0.2879 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 1.3319 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 3.6444 3.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 2.1130 3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 2.5894 6.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6191 0.9758 5.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 3.2311 5.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 1.7817 6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 0.3431 4.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 1.7442 3.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 0.6846 3.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6408 0.5638 5.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 3.0900 5.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 3.0858 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5036 1.2563 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 1.1963 4.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8002 3.4594 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 3.5409 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8489 2.6960 3.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0485 1.2684 4.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9951 2.1554 1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0447 0.7503 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2619 -0.2807 3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0971 1.0775 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9321 0.6890 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0061 -0.7185 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4109 -1.7380 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0480 -0.4418 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0321 -2.4908 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3297 -2.8254 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9981 -2.1764 -2.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6247 -0.6352 -2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6509 -1.4596 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2559 0.1992 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3025 0.3818 -3.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0043 0.8682 -4.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9742 1.1667 -3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3192 -0.3684 -3.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9564 -1.4563 -5.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9306 -2.3314 -3.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -1.9432 -4.7009 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 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 26 38 1 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 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 6 16 82 1 0 17 83 1 6 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 1 27 94 1 0 27 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 34 99 1 6 35100 1 0 36101 1 0 36102 1 0 37103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 58137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 59142 1 0 M END