HMDB0262320 RDKit 3D PE(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 134134 0 0 0 0 0 0 0 0999 V2000 4.4075 -1.7036 -5.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -0.3178 -4.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 0.6770 -5.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 1.4481 -5.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 1.4926 -4.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 2.8039 -4.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6426 3.9094 -5.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 3.9731 -4.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 4.0210 -4.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 5.4148 -4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 5.9788 -3.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 5.2880 -2.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 6.1152 -1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 5.6462 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 4.2534 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5346 3.8271 1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 2.8120 1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 1.9179 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 0.5275 0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 -0.2281 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 0.2363 -1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 -0.0421 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 0.5975 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 1.3817 0.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.3374 0.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 0.9430 1.6215 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4083 -0.1223 2.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 -0.9416 2.1263 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4536 -1.7934 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 -1.9472 0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -2.5360 0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 -2.7946 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 -3.4229 -0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5367 -2.7111 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9681 -2.6152 0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 -3.9436 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5675 -3.6835 2.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0929 -4.5370 3.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4607 -5.7678 3.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1926 -6.3320 3.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1131 -5.8553 4.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -4.4836 4.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 -4.4736 6.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -4.0472 6.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -3.5013 6.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.3324 4.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -4.5536 3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 -5.4316 4.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 -6.6859 3.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 1.6112 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 2.2438 2.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 2.8941 1.2402 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0479 4.3694 1.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 2.6342 2.1564 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 2.1294 -0.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 2.8432 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2103 2.0247 -2.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 1.7383 -2.9668 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 -2.3632 -4.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 -1.6282 -6.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 -2.2070 -5.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5268 -0.3211 -3.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 -0.1272 -4.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 0.7604 -6.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1126 2.1570 -6.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 1.3333 -5.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 0.6556 -4.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 2.8413 -3.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 4.7879 -3.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 3.3699 -3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 3.6288 -5.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 6.0413 -5.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 7.0640 -3.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 5.4149 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 4.2704 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 7.2082 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 6.3564 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 3.5888 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 4.3224 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1647 4.4841 2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 2.6328 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6839 2.2568 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9615 1.9606 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8882 0.1103 1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -1.2955 0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 -0.4567 -1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 1.2796 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 -1.1234 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 0.4325 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 1.5851 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 -0.6884 3.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 0.4357 3.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -2.0068 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -3.5273 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7572 -1.9151 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 -3.5456 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 -4.4636 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3472 -3.6507 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3602 -3.1602 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4876 -1.6485 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -2.0296 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0213 -2.0456 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4436 -4.1675 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7656 -4.7436 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0671 -2.7408 3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2673 -4.1790 4.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7589 -6.0842 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2015 -6.6149 3.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 -7.4315 3.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -6.4995 4.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 -3.9543 4.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -3.8987 4.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 -4.8706 6.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 -4.1279 7.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 -4.1157 6.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 -2.4909 6.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0774 -2.8057 4.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -2.6003 4.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 -5.1781 3.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.1702 2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 -5.7564 5.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -4.8826 4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5571 -6.4399 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 -7.3800 4.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 -7.1907 4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 0.8579 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 2.3907 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1843 3.5105 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 3.7880 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 3.0840 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7766 2.5700 -3.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6845 1.0386 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 0.7958 -3.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 2.4365 -3.6160 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 7 8 1 0 8 9 1 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 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 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 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 8 6 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 8 69 1 0 9 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 1 27 91 1 0 27 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 54128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 M END