HMDB0283081 RDKit 3D PS(20:3(5Z,8Z,11Z)-O(14R,15S)/22:2(13Z,16Z)) 143143 0 0 0 0 0 0 0 0999 V2000 8.9320 -2.9730 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 -2.2683 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -2.4488 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -1.7876 0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 -1.9886 1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -1.3490 1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9444 -1.9399 1.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 -3.3331 1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -4.3600 1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 -5.1215 2.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 -5.0135 4.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 -4.7911 5.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 -3.6226 5.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -2.2585 5.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -1.9217 6.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -0.4899 6.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 -0.0633 4.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 1.3962 4.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 1.8567 3.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 1.7230 2.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 2.2070 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0649 3.6231 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 4.4635 1.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 4.1219 1.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5743 5.5159 1.1501 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4182 5.9854 2.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 5.3618 2.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 5.6680 3.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 6.5196 4.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9981 5.1469 3.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3581 4.0983 2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4782 2.8389 2.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0114 1.9126 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 1.4393 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8733 1.7397 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 2.3280 -1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 1.7953 -2.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 0.5442 -2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 0.7736 -2.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 0.0869 -3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -0.8738 -4.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.2791 -4.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2824 -2.4415 -4.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 -2.9547 -5.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -4.4349 -5.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 -5.2192 -5.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -4.9717 -5.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -5.8004 -4.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -5.4951 -3.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 5.9496 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 5.6374 -1.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 6.1525 -2.6333 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7129 6.4803 -2.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 7.5644 -3.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 4.9594 -3.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 5.1245 -4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 4.0506 -5.6772 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1226 4.1499 -6.5261 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 4.0452 -6.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3981 3.9621 -5.9215 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 4.1335 -7.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7372 -4.0440 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7589 -2.7859 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2628 -2.5312 1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 -2.7334 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -1.1904 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 -1.9117 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5504 -3.5219 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -2.0773 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 -0.6804 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 -2.9379 2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8129 -1.2921 2.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 -0.2257 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 -1.2523 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -3.4604 2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 -3.6430 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -4.5606 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 -5.9087 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -4.2985 3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 -6.0237 4.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -5.7095 5.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -4.9280 6.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 -3.7419 6.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -3.6904 4.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -1.5479 5.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 -2.0096 4.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6864 -2.0848 7.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -2.5408 6.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 -0.3347 6.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 0.1303 6.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4611 -0.1268 4.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 -0.7063 4.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.5669 5.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 2.0419 5.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 1.2130 3.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 2.9212 3.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 0.6745 2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 2.3513 2.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 1.5283 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.0704 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 6.0192 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 5.7884 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 7.0703 2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7216 5.9956 3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2263 4.7593 4.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4073 3.7632 2.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3819 4.4845 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 3.0948 2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 2.4095 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0636 1.6215 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8307 0.7444 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 0.7619 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 2.4369 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3785 3.2692 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2738 2.3173 -3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 0.2548 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -0.3252 -2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.4576 -2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 0.2536 -3.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 -0.7922 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3317 -0.5353 -5.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -2.9550 -3.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -2.3697 -6.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 -4.8115 -5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -4.6868 -6.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -6.3045 -5.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 -4.9666 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 -5.2555 -6.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -3.9301 -5.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3712 -6.8953 -4.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -5.6386 -5.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -6.1425 -2.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 -4.4321 -2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -5.6598 -2.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 7.0506 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 5.4885 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 7.9322 -4.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 5.1024 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 6.1039 -5.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 3.0640 -5.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2438 3.2124 -6.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9598 4.2659 -5.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 3.2770 -8.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 59 61 1 0 44 42 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 54137 1 0 56138 1 0 56139 1 0 57140 1 1 58141 1 0 58142 1 0 61143 1 0 M END