HMDB0112510 RDKit 3D PS(18:4(6Z,9Z,12Z,15Z)/24:0) 146145 0 0 0 0 0 0 0 0999 V2000 0.7840 0.0288 2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 -0.4236 3.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 0.4586 3.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 0.1179 3.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 -1.1826 2.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 -2.4061 2.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 -3.2349 2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -3.0481 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 -3.0818 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 -3.9654 -1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 -5.0161 -1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3357 -5.1094 -2.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 -4.3495 -3.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -3.1140 -4.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 -1.9700 -4.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 -0.6800 -4.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 0.4369 -4.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0073 1.7277 -4.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 2.2381 -6.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 2.3799 -3.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 3.6047 -4.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 4.0440 -2.8982 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9578 4.4987 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 3.5015 -1.3316 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 4.1869 -0.1466 P 0 0 0 0 0 5 0 0 0 0 0 0 6.1126 3.4455 -0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 5.7786 -0.5677 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1078 4.1179 1.3817 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4712 5.2781 1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 5.0308 3.2037 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2529 6.2301 3.6454 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 4.7551 4.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.7874 3.9786 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 5.5918 5.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 3.0450 -2.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 3.0571 -2.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8303 4.1263 -2.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 1.8449 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 2.0447 -1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 2.9601 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 3.0407 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 3.8465 1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 3.3697 2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4974 1.8797 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 1.3938 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 -0.0183 4.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9546 -0.7867 5.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -0.9742 4.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0984 -1.8339 4.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2113 -2.0597 3.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8259 -2.7293 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2489 -4.0979 2.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 -4.6384 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 -3.8454 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 -4.5568 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6412 -3.8315 -1.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 -4.5198 -3.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -3.7536 -3.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1768 -4.4554 -5.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 -3.7980 -6.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 0.1399 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 1.0172 2.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 -0.7408 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 -1.4732 3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4703 -0.2847 4.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 1.5691 3.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 1.0113 2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 -1.2769 3.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 -1.2329 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -2.6983 4.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -4.1533 2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 -2.0390 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -3.8409 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 -2.3146 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8023 -3.8890 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 -6.0261 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4349 -5.2102 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -6.0269 -2.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -4.6462 -4.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -2.8204 -3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 -3.1906 -5.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 -2.1626 -5.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 -1.8407 -3.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1446 -0.7563 -5.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0952 -0.4588 -3.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4077 0.6076 -3.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4093 0.2225 -5.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 4.4061 -4.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 3.3760 -4.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 5.0044 -3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 5.2647 -2.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 5.0023 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 5.8227 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 5.5323 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 6.1358 1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 4.1559 3.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 6.5198 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 6.0665 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 5.9329 5.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 1.2962 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0019 1.1856 -2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 1.0842 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 2.5455 -1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6668 2.4320 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 3.8981 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 2.0200 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3295 3.5044 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 4.9140 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0349 3.8031 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 3.9116 3.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 3.4824 2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 1.9138 3.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2721 1.2524 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 2.0813 5.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 1.6689 4.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 -0.5745 3.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -0.1892 5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 -1.7834 5.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 -0.3363 5.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3072 -0.0510 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4787 -1.5670 3.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4599 -1.3770 5.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6489 -2.8144 4.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0063 -2.6828 4.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6977 -1.0937 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2148 -2.0544 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7916 -2.8531 1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4064 -4.1884 3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0480 -4.7729 2.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5288 -5.6835 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8289 -4.6981 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -2.8144 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 -3.8279 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3327 -5.6016 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 -4.5030 -1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -3.7894 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9529 -2.7889 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 -5.5793 -3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3875 -4.5280 -3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 -3.8824 -3.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 -2.6841 -4.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 -5.4906 -5.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -4.5100 -5.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 -2.7067 -5.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1228 -4.2259 -5.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 -4.0894 -7.1622 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 22 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 1 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 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 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 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 6 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 6 31 97 1 0 31 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 60146 1 0 M END