HMDB0262005 RDKit 3D PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/20:1(11Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -4.0783 5.4062 -2.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 4.1339 -3.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1302 4.4698 -4.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 4.3942 -5.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7349 3.9721 -4.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 2.7502 -5.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 1.7988 -5.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 2.2436 -4.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 1.5268 -3.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.0508 -3.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 0.3368 -2.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -0.1444 -1.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 0.3357 -2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 -0.3284 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 -1.8132 -3.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7796 -2.1148 -4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0281 -3.0312 -5.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -4.0436 -4.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -4.3083 -3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0047 -4.3581 -2.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 -4.1335 -3.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -2.9800 -2.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -2.5345 -2.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.9758 -3.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 -1.5110 -2.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 -0.8731 -2.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 0.1252 -0.9584 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0203 -0.8048 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.5710 0.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3575 -2.6251 1.5594 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8273 -2.9117 1.8262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 -4.1172 1.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 -2.1408 2.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -2.0841 3.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -1.6654 5.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3526 -0.3540 5.2261 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 0.8703 -0.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 2.2525 -0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 2.7580 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 3.0217 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 2.7902 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 3.3430 2.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7288 3.0139 3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 3.5852 4.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 3.1102 3.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 3.5558 4.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 3.1831 3.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 1.6593 3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5541 1.4604 2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 0.7786 3.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 -0.0714 4.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 -0.4845 5.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.3891 5.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -2.6993 4.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 -3.6291 4.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -4.0003 5.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -4.9217 4.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 -6.2149 4.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 5.8833 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 6.1357 -3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0273 5.1389 -2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 3.3437 -3.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 3.8299 -2.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 4.8000 -5.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 4.6700 -6.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 3.6594 -3.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 4.8110 -4.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 3.0210 -6.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 1.1106 -6.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.4392 -5.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 1.2910 -3.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 1.2967 -3.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 0.1069 -1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 0.3725 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -1.2209 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1126 1.4571 -2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6211 0.2043 -4.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -2.2227 -2.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0056 -2.1464 -3.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -1.4358 -5.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 -3.0265 -6.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -3.9124 -5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 -5.0537 -5.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0234 -4.5261 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -4.5784 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 -5.0792 -2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -4.0060 -4.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 -2.1568 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -3.2925 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0172 -0.2551 -3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8935 -1.5153 -2.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 0.6552 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -1.4590 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 -0.1925 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 -4.8721 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -1.2700 3.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1165 -3.0247 4.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -1.6186 6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 -2.4311 5.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 0.3567 5.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 -0.0727 4.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1562 4.0790 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 2.7260 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6347 3.3072 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7293 1.7019 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 4.4267 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 2.8706 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7908 1.9215 3.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 3.4408 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 3.2155 5.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 4.6845 4.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 2.0290 3.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1888 3.5642 2.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 4.6455 4.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 3.0727 5.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 3.6512 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 3.5276 4.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 1.2524 4.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4179 1.3254 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.0310 1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 0.8539 2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 -1.0460 3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 0.3969 4.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 0.3877 6.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 -1.0861 6.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -1.7257 6.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.0227 4.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 -3.1665 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 -2.4803 3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -3.2106 3.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -4.5537 3.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -4.5559 6.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 -3.1410 5.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2862 -4.4141 4.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -5.2067 5.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 -6.9307 4.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 -6.0586 3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 -6.6462 4.7952 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 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 40 1 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 49 50 2 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 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 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 1 28 93 1 0 28 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 40102 1 0 40103 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 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M END