HMDB0267954 RDKit 3D PA(i-18:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 124123 0 0 0 0 0 0 0 0999 V2000 16.4838 3.6968 -1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3567 3.1355 -2.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7119 1.9333 -1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6801 0.8114 -1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9125 -0.3275 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3626 0.0944 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0745 0.0907 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0588 -0.3260 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7791 -0.2891 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4078 0.1702 1.7160 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8608 -0.6644 2.7165 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 0.2417 1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 -1.0529 1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4033 -1.3085 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 -0.2913 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 -0.0721 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 1.1392 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 1.4920 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 2.5628 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6431 2.8525 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 1.6242 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 1.3540 -1.6332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 0.7743 0.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1098 -0.3962 0.3907 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2806 -0.3195 1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -1.4266 1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -1.8334 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 -1.1874 -0.8439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -3.0548 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 -2.6850 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 -1.6315 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2443 -1.9767 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0431 -3.2372 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2432 -3.1143 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1698 -1.9963 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3268 -1.9877 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3188 -0.9014 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8357 -1.1727 -1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8661 -0.2258 -2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5614 1.1902 -2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1137 2.0523 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0514 2.1317 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5123 3.0353 1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5132 3.0497 2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3741 4.4582 0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 -1.6144 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -2.7898 0.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 -4.1565 0.8855 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1512 -5.3588 0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 -4.2919 2.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -4.1119 0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2623 4.7478 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5665 3.1599 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4417 3.6801 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5975 3.9215 -2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7434 2.8420 -3.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 2.2457 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8798 1.5947 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0308 0.4373 -2.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4920 1.1407 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1656 -0.6672 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6176 -1.1845 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0469 0.4252 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7487 0.4259 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2582 -0.6697 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0345 -0.5975 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7894 1.1998 1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6548 -0.2098 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 1.0878 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7289 0.5468 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5855 -1.8746 2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 -2.3404 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 -0.7594 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 0.6363 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7279 -0.8680 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7725 1.9139 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4316 1.8553 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 0.6052 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 3.4933 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2095 2.2115 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5302 3.2523 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 3.6067 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 -0.5308 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 0.6224 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -0.1464 2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 -3.7620 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8234 -3.4593 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -3.5778 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 -2.2926 1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7279 -1.4430 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2761 -0.6514 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3328 -2.0690 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7869 -1.1084 -1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4274 -4.0864 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3137 -3.4495 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8927 -4.0423 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9833 -3.0127 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4424 -2.2291 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5939 -1.0549 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9894 -1.7861 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7991 -3.0073 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7764 0.0358 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1546 -1.0120 0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2898 -2.2081 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0022 -1.1276 -2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2095 -0.6196 -3.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8248 -0.3791 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7177 1.2278 -3.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3905 1.7241 -2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0595 2.0344 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2052 3.1392 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2440 1.1253 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0450 2.5363 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5198 2.7170 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4833 3.3838 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2140 3.7682 3.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6338 2.0124 2.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3010 4.7612 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8931 4.6251 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8292 5.1886 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0198 -1.5299 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6752 -1.6333 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 -5.1715 2.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 -3.4596 0.7263 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 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 1 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 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 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 50123 1 0 51124 1 0 M END