HMDB0277136 RDKit 3D PI(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:1(11Z)) 152152 0 0 0 0 0 0 0 0999 V2000 3.8298 -4.8989 3.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -4.9407 2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 -5.2935 2.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 -4.5578 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -3.2354 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 -2.1870 1.5887 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8436 -2.1475 2.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8646 -0.9286 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.1842 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 1.0239 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.8047 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 1.6328 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 1.2563 -2.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 2.0097 -2.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 3.3507 -2.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4949 4.0739 -3.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8976 5.4365 -2.9484 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2366 5.4622 -1.5649 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 6.5093 -3.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 6.4840 -3.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 5.4047 -4.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 5.7910 -5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 6.9901 -5.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 6.8679 -5.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 7.8832 -5.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 5.6706 -4.8364 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 5.6583 -4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4951 4.3806 -3.5581 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4610 4.5884 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 3.4702 -1.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2503 3.5181 -0.1295 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6497 4.9758 0.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 3.1127 1.1538 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 2.6247 -0.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 1.6547 0.8942 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3670 0.4372 0.4202 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7145 -0.2060 -0.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6256 -0.5110 1.5460 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9715 -0.8634 1.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -0.0766 2.8886 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7356 -0.2650 2.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4416 1.3504 3.2445 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6058 1.4018 4.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 2.2472 2.0317 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8058 2.2742 1.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 3.2435 -4.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 2.0328 -4.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 2.0706 -3.3406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 0.7522 -4.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 -0.2860 -4.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -1.7003 -4.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -2.5343 -3.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 -2.3181 -3.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 -3.1866 -2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 -3.0724 -2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -3.9235 -1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 -3.9249 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3566 -2.5967 -1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3291 -2.2758 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0291 -3.1294 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1409 -2.7328 1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -2.4809 2.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -3.6569 2.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9504 -3.6425 3.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -2.6049 3.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -1.2611 3.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2475 -0.2316 3.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8475 -4.6102 4.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1965 -5.8514 4.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 -4.1246 4.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9466 -4.0428 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -5.7916 2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 -6.2736 2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 -4.9258 1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -3.2908 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6668 -2.9008 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 -2.5715 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4013 -2.9091 3.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -0.6145 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 -0.5546 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3204 1.2907 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 2.7389 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.7943 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5329 2.5354 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 0.2267 -2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 1.6175 -3.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 3.7753 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 3.5671 -4.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8723 5.6244 -3.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4499 5.4748 -0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2661 7.4825 -2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2568 7.4691 -3.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 5.1833 -4.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 4.4534 -4.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 6.0150 -6.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 4.9341 -6.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 7.8793 -5.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 7.2159 -7.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 6.4484 -3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 5.9614 -4.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 4.0424 -2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1525 5.5120 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4722 4.6298 -2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 3.3466 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6348 1.4193 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3654 0.7325 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 -0.8926 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 -1.4766 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3891 -0.3866 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 -0.7223 3.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5169 -0.5599 3.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 1.7245 3.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5865 2.2246 4.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 3.2887 2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4819 2.1329 2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 0.5953 -4.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 0.7611 -5.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0330 -4.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 -0.1661 -2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 -1.9484 -5.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9464 -1.9660 -4.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 -3.6239 -3.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -2.2846 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -1.2956 -3.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 -2.7549 -4.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -4.2170 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 -2.7535 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 -2.0382 -2.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 -3.4894 -3.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 -3.5044 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 -4.9747 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0576 -4.4293 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -4.6616 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 -1.8004 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6697 -1.2036 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7372 -4.2107 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1106 -3.1773 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7986 -3.5017 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 -1.7964 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4228 -1.6315 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1801 -2.0741 3.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7378 -4.5286 2.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7341 -3.9702 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4126 -3.7297 4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4653 -4.6876 3.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -2.9196 4.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -2.5733 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 -0.8069 3.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7784 -1.2602 4.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 0.4568 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 -0.7056 3.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 0.4251 2.9179 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 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 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 28 46 1 0 46 47 1 0 47 48 2 0 47 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 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 44 35 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 1 7 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 6 18 90 1 0 19 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 22 95 1 0 22 96 1 0 23 97 1 0 23 98 1 0 27 99 1 0 27100 1 0 28101 1 1 29102 1 0 29103 1 0 33104 1 0 35105 1 1 36106 1 6 37107 1 0 38108 1 6 39109 1 0 40110 1 1 41111 1 0 42112 1 1 43113 1 0 44114 1 1 45115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 59135 1 0 60136 1 0 60137 1 0 61138 1 0 61139 1 0 62140 1 0 62141 1 0 63142 1 0 63143 1 0 64144 1 0 64145 1 0 65146 1 0 65147 1 0 66148 1 0 66149 1 0 67150 1 0 67151 1 0 67152 1 0 M END