HMDB0115468 RDKit 3D PA(24:1(15Z)/20:1(11Z)) 145144 0 0 0 0 0 0 0 0999 V2000 9.5555 -4.2339 5.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3104 -3.9330 4.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 -4.0385 2.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4294 -3.7506 1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2722 -4.6890 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0879 -4.3402 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 -5.2841 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -5.0416 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 -3.6958 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -2.7718 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 -3.1165 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -3.0267 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 -1.8200 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 -0.6501 -2.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3446 0.2453 -1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 1.4047 -0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 2.2275 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 2.8248 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 3.8167 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 4.3570 -3.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.3835 -4.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8733 5.0286 -4.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 3.9057 -5.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 3.8002 -6.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 3.8236 -7.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 3.6852 -5.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 3.6074 -6.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 3.5188 -5.0644 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2919 3.3628 -5.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6401 4.4915 -6.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1472 4.2604 -7.2331 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.5500 2.8065 -7.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1514 4.6976 -8.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2615 5.2517 -6.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 4.6407 -4.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7376 4.4768 -2.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 3.2852 -2.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 5.5848 -1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 5.0942 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7532 4.3046 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5774 3.8161 1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 2.9025 1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 2.4414 3.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 1.7503 3.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2792 1.2445 4.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 0.1086 5.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 0.3393 4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 -0.4010 4.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8109 -1.5892 3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -1.4123 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -2.4558 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 -3.8228 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8474 -4.6746 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 -4.8637 2.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 -5.7431 3.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5672 -5.9535 4.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0329 -3.2521 5.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3009 -4.7616 6.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2737 -4.8089 4.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5435 -4.6950 4.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 -2.9287 4.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3995 -3.2684 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 -5.0149 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 -2.7062 2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7194 -3.7281 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6418 -5.7126 1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -4.5848 3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8538 -3.2863 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3965 -4.4223 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 -5.1329 2.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3091 -6.3146 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -5.4583 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 -5.7281 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9243 -3.3989 2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 -1.8216 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1918 -2.3342 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 -4.0544 -1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -3.7697 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 -3.6249 -3.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -1.4123 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2448 -2.1742 -3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4946 -0.8905 -1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 0.0079 -2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 0.8393 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 -0.1987 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0944 2.0101 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 0.9727 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5828 3.0016 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 1.5844 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 2.0491 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6044 3.4204 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 4.6739 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 3.3092 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 4.8645 -2.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 3.5616 -3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 6.2905 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 5.7231 -4.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 5.9389 -5.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 4.8684 -4.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2803 2.9499 -5.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5854 4.1958 -6.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0302 4.3885 -6.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 2.6136 -6.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7893 2.6207 -4.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 2.4648 -6.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1099 3.2586 -4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9528 4.2804 -9.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8856 4.6665 -5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 6.2213 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 6.2583 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 5.9812 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 4.5282 -0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6341 5.0067 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9435 3.4179 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 3.2235 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4818 4.6849 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 3.5091 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 2.0489 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 1.8893 3.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 3.4192 3.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2664 2.4769 3.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6624 0.9289 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 2.1305 5.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 1.0172 5.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 -0.7600 4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -0.2022 6.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 1.2077 5.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.1277 3.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 -1.9259 3.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 -2.4561 3.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -1.2921 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 -0.4172 1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 -2.4682 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 -2.0665 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -3.7703 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 -4.4006 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5323 -5.7392 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0824 -4.4822 2.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -5.4698 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 -3.9432 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5613 -5.2579 4.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 -6.7187 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -6.7914 4.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 -5.0522 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -6.1765 5.6207 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 28 35 1 0 35 36 1 0 36 37 2 0 36 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 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 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 1 29105 1 0 29106 1 0 33107 1 0 34108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 56145 1 0 M END