HMDB0276136 RDKit 3D PI(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) 137137 0 0 0 0 0 0 0 0999 V2000 -2.5996 6.4614 0.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 5.8971 2.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 5.1536 2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9127 4.0097 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8934 2.9395 1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7574 2.1487 2.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 2.8642 4.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 2.9023 4.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 2.1842 4.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 3.1583 4.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 2.3247 4.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 3.1598 4.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1086 4.2098 3.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0706 3.6281 2.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1193 4.8089 1.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0793 4.3720 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 5.2735 -0.8737 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 3.0797 -0.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 2.6905 -1.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 1.2281 -1.8653 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4660 0.7615 -3.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 -0.5679 -3.3888 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -1.1533 -4.9482 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9465 -0.5656 -5.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4936 -0.8595 -5.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 -2.8324 -4.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -3.2747 -5.3064 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6759 -4.2810 -6.4341 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4352 -3.6846 -7.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -4.6791 -6.8946 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2161 -6.0626 -7.0418 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 -4.1825 -6.0479 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7698 -2.8869 -6.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.2551 -4.5769 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9684 -5.4497 -3.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -4.0021 -4.1693 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4654 -5.2530 -3.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5439 0.4228 -1.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 -0.4910 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 -0.5689 -0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0387 -1.3047 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 -2.4325 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -3.2490 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -3.8559 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 -3.6355 3.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -2.7187 3.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2609 -3.4129 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -3.5072 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -2.8544 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 -1.8607 2.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2622 -1.9421 2.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7239 -3.0033 1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 -2.4614 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 -2.5908 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4534 -3.2872 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6217 -2.4380 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3766 -1.7447 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7371 -0.7420 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1005 0.4099 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5416 1.2629 -1.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 7.0720 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 5.6812 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4277 7.1792 1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 6.7557 2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 5.2296 2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 5.9091 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 4.9388 3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 3.5080 1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 4.3436 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9536 3.3217 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 2.2052 0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 1.4360 2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 1.4483 2.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 3.4440 4.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 3.4868 5.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 1.4703 4.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 1.5734 5.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 3.6451 5.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 3.8332 4.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 1.8148 3.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 1.5304 5.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 3.6560 5.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9431 2.5267 4.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 4.9688 3.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 4.7980 3.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 3.0055 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 2.9857 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 5.2867 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 5.5856 1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 3.1808 -2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 3.0141 -2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4506 1.0109 -1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4965 0.8973 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 1.3545 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8786 -0.0091 -5.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9419 -2.4161 -5.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -5.1894 -6.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3296 -3.4927 -7.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -4.2440 -7.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -6.3078 -6.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 -4.8414 -6.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 -2.6221 -7.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 -3.4376 -4.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5568 -6.2160 -4.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 -3.3782 -3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 -5.2066 -3.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.6654 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5317 -1.7492 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -3.0997 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 -2.0086 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6201 -2.6795 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -4.1013 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 -4.5648 1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3947 -4.1260 3.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -2.0544 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 -1.9989 2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -3.9023 5.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2151 -4.0543 4.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2367 -2.2646 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3679 -3.6761 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 -1.0465 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 -1.1726 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 -3.5229 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -3.8224 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 -1.9149 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4396 -2.1302 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1714 -3.8229 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7717 -4.1100 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3770 -3.1319 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3326 -1.7645 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8053 -2.5366 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3299 -1.2817 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1566 -1.0705 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6364 -0.2111 -1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3029 0.1030 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9083 0.9951 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5958 0.9392 -1.6205 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 20 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 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 36 27 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 19 90 1 0 19 91 1 0 20 92 1 1 21 93 1 0 21 94 1 0 25 95 1 0 27 96 1 6 28 97 1 1 29 98 1 0 30 99 1 6 31100 1 0 32101 1 1 33102 1 0 34103 1 1 35104 1 0 36105 1 1 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 60137 1 0 M END