HMDB0263924 RDKit 3D PA(LTE4/18:2(9Z,11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -13.7467 7.2740 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3147 5.9263 -1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2014 5.4204 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6219 4.1025 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7320 3.0517 -0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2272 1.7305 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2357 0.6203 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7811 0.5759 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0342 0.2901 2.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7726 0.0876 2.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8075 0.1129 1.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5141 -0.1202 1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5905 -0.0772 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3021 -0.3011 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 -0.2820 -0.5565 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6111 -0.0994 0.0396 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -1.4456 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 -1.1795 1.5685 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6093 -0.0120 2.3954 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5661 -1.1868 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 -0.3762 0.5729 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 -2.0658 -0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 -2.2266 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6639 -2.6926 -1.1254 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4193 -4.0695 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 -3.8747 0.7152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -5.3468 1.4776 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5064 -6.2336 0.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -6.1078 1.7885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 -5.0439 2.9857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 -1.8687 -0.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -1.5626 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 -2.0577 -1.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 -0.7233 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0152 -0.8751 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 -2.3015 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8427 -2.5941 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 -1.8492 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -2.1357 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -1.4484 2.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1027 -0.0051 2.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0700 0.7331 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2485 0.1132 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2533 0.7507 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4757 2.1391 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5836 3.2264 0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2701 4.5623 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 4.6967 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2241 6.0942 -1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5497 6.2439 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -1.3902 -1.5506 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5557 -1.4398 -2.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 -2.7337 -0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9667 -3.7921 -2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1988 -5.1046 -1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4249 -6.2038 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -7.3679 -1.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4007 -5.9733 -3.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0003 7.6499 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8753 8.0148 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7085 7.1861 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1789 5.2094 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0291 5.9859 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5951 5.3884 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4235 6.2245 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8265 3.8447 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1432 4.1390 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4551 3.3833 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2748 3.1581 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7768 1.6284 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8367 -0.3096 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4025 1.5127 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5970 -0.2651 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6272 0.2271 3.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3569 -0.1313 3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0579 0.3412 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2051 -0.3333 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9375 0.1367 -0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 -0.5149 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5009 0.6796 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 -2.3796 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7042 -1.6241 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 -2.0518 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 0.1541 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -0.1329 3.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -1.2782 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -2.9496 -2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 -2.9702 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 -4.5090 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -4.7405 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5945 -5.4398 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 -4.1752 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 -0.9359 1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 0.3635 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6733 -0.2515 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0232 -0.5761 -1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 -3.0394 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4142 -2.4939 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9588 -2.4576 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0082 -3.7011 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8983 -2.1739 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8479 -0.7644 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9517 -3.2260 1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0061 -1.7469 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9369 -1.6612 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9755 -2.0126 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2182 0.5338 2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8825 1.7832 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3148 -1.0220 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1090 0.0601 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8255 2.3385 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4812 2.3734 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3922 3.3753 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6537 3.2590 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5280 5.3632 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1397 4.7456 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3934 4.0206 -1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6570 4.6301 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2005 6.0314 -0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5592 6.8720 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9552 7.0692 -3.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6410 6.4677 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3670 5.3086 -3.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4808 -1.1491 -2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9256 -1.9297 -3.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -3.1192 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7067 -2.7177 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8415 -3.4786 -2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0394 -3.8411 -2.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3151 -5.2949 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 -4.9531 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5792 -6.6918 -4.2629 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 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 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 2 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 49 50 1 0 15 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 6 17 81 1 0 17 82 1 0 18 83 1 1 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 30 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 50123 1 0 51124 1 6 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 58132 1 0 M END