HMDB0260590 RDKit 3D PE(14:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 120119 0 0 0 0 0 0 0 0999 V2000 15.8106 3.5297 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4728 2.7918 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7187 3.5389 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4616 2.9832 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3338 2.7867 -0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 1.8610 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5869 0.7731 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 0.4735 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8269 -0.5848 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8799 -1.5083 0.7586 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8250 -2.8444 0.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5503 -1.3450 1.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4847 0.0539 1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5423 0.8702 1.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 0.4905 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 0.7682 1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 1.6076 1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 1.9886 1.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 1.6001 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 0.1102 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 -0.4141 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 0.4098 -0.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 -1.7394 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 -2.2989 -0.9761 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8226 -2.6554 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 -1.4770 0.4982 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4744 -1.5687 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9575 -2.7137 1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -0.3542 1.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2356 -0.5601 2.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4169 -1.1527 2.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9003 -0.3885 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3062 1.0239 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7536 1.5800 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1670 3.0054 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3039 3.3347 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5950 2.6304 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0612 2.9540 -0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3603 2.2477 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4431 2.6847 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6474 4.1996 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 -3.4985 -1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -3.3252 -2.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 -4.7825 -3.5166 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6843 -4.8776 -4.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 -4.7926 -3.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 -6.0290 -2.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 -7.2176 -2.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -8.2053 -1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -7.7224 -0.3019 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5970 2.9306 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7397 4.5474 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9860 3.5088 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9508 2.8058 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6799 1.7447 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6098 4.6247 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4247 3.6511 -2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0706 3.6278 -2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6829 2.0031 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3489 2.7569 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 3.8282 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0622 1.9856 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7499 0.1768 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 1.0867 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0825 -0.7916 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 -1.4827 1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3322 -3.4578 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7905 -1.7196 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -2.0421 2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3045 0.4143 2.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 1.9079 1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 -0.5135 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4057 1.1728 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 0.2890 2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 2.0652 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 1.3749 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 3.0516 1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 2.0369 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 2.0836 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6797 -0.2834 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -0.2360 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 -1.4427 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5677 -3.1168 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5281 -3.3328 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 0.0595 2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1334 0.4182 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4882 0.3662 3.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9529 -1.2963 3.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1701 -2.1795 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2153 -1.2916 2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2021 -0.4481 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8295 -0.9278 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1631 1.0930 1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4940 1.6720 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5514 0.9039 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9123 1.4905 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3519 3.3353 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2834 3.5965 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0435 3.2571 1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5198 4.4353 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5461 1.5469 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3489 3.0385 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1652 4.0537 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3007 2.5772 -1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2011 1.1591 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6879 2.3659 -2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2216 2.3807 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3821 2.2021 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5975 4.4493 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6490 4.4315 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8535 4.7276 0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1463 -4.3909 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 -3.7392 -2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 -4.6589 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1767 -7.6893 -3.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4975 -7.0734 -2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 -8.2825 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 -9.2151 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 -7.3738 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 -8.4903 0.2908 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 2 0 9 10 1 0 10 11 1 0 10 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 1 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 6 25 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 46114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 M END