HMDB0266038 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:5(4Z,7Z,10Z,13Z,16Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -14.5734 -2.6014 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1849 -3.2057 -1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2021 -2.1372 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7713 -2.6156 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9062 -1.4019 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2610 -0.8795 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7033 0.3264 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8930 1.2909 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0298 2.4637 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 2.9592 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6538 2.4666 -1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 2.0047 -2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 1.8961 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 2.2097 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5066 3.2826 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7554 4.1701 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 4.3344 -1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9866 4.3647 -1.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 3.5884 -2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 2.4279 -2.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 1.1641 -2.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 0.8451 -1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0923 1.4174 -0.3895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 -0.1658 -0.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 -0.4641 0.8995 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6628 0.0263 1.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 -0.4737 1.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 -0.4716 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 0.0138 -0.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7685 -1.0985 0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 -0.8881 2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -1.5027 2.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 -1.2359 3.7780 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9965 -1.8239 4.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3119 -1.5461 4.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2885 -1.7869 3.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6048 -2.0802 3.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6620 -2.3489 3.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 -2.4285 1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6913 -2.2987 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5701 -1.3387 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 -0.2727 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3106 0.6488 -1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 1.7493 -1.4555 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7654 2.2786 -0.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4023 1.3870 -2.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1998 0.2398 -1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3424 -0.0474 -2.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2636 1.1276 -2.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8742 1.5217 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -1.9107 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -2.3236 2.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7477 -3.9868 2.2294 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2381 -4.1834 2.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -4.6046 0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 -4.8030 3.4999 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2815 -3.1649 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5543 -1.5619 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9705 -2.4985 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2025 -4.0384 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9845 -3.5709 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2647 -1.3529 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4218 -1.6695 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4861 -2.8530 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5740 -3.4834 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8781 -1.8826 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7583 -0.7119 -1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1527 -1.5441 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9526 0.6540 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9542 1.7068 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7658 0.9274 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2200 2.9871 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5619 3.8654 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 3.3362 -2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4575 1.7489 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1644 1.6960 -3.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3815 1.4800 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 2.0714 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7582 1.2497 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5943 3.3551 1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2438 4.9425 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9994 3.7472 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 5.4151 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4644 5.1917 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1634 3.8103 -2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2745 2.6162 -4.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 2.3141 -3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 1.3519 -2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 0.3137 -3.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 0.1293 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 1.1706 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -0.1445 2.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4891 -0.6445 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 -2.1732 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 0.2113 2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -1.3103 2.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4769 -2.5778 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 -0.9609 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 -0.1180 3.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -1.1543 5.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 -1.5845 5.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0365 -1.7266 2.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7558 -2.0795 4.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6328 -2.5506 3.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2804 -3.4733 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6746 -1.7737 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 -3.0522 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6858 -1.3412 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 -0.1911 0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4294 0.5686 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7133 2.6174 -1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3239 1.6250 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 1.1882 -3.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0316 2.3058 -2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 -0.6783 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6202 0.4592 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8778 -0.2447 -3.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9195 -0.9050 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0712 0.7836 -3.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7678 1.9723 -3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6222 0.8226 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9905 1.4571 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6064 2.5715 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -2.5516 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 -2.0897 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3075 -4.9328 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0646 -4.4966 3.5751 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 1 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 6 34100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 44111 1 6 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 55126 1 0 56127 1 0 M END