HMDB0009205 RDKit 3D PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) 135134 0 0 0 0 0 0 0 0999 V2000 14.7030 -4.8827 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4636 -3.5509 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4933 -3.4160 -0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1761 -3.2936 -1.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8109 -3.2641 -2.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5655 -2.0130 -3.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6117 -1.1833 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6443 -1.3838 -1.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8100 -0.2237 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8273 0.5893 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4850 0.4958 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 0.3390 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6971 -0.6796 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 -1.8290 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1884 -1.8636 -1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9241 -0.5566 -2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 -0.5199 -2.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5169 -0.6475 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -1.7676 -1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9297 0.4779 -1.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 0.4922 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 1.8950 0.3832 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7909 2.7700 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 2.7292 -0.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 3.6591 -0.0820 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7642 5.1265 -0.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1893 3.2794 -1.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 3.2310 1.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8155 4.1893 1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5405 3.8577 2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6295 3.8136 4.0759 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 1.9656 1.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 2.5554 1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 3.0528 0.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 2.6043 2.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 3.2912 2.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 2.5313 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 3.2511 1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7174 3.5434 2.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9507 4.2784 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0434 3.7172 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8688 3.1329 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2137 2.8042 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9805 1.8651 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3206 1.4919 -0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0684 0.6198 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4610 -0.6164 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2113 -1.2867 -1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4085 -2.5267 -1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8146 -3.7611 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8438 -3.7521 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2802 -5.1370 1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6376 -5.5020 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7064 -4.5243 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0545 -4.9449 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1511 -5.7181 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8105 -5.1068 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3994 -4.8169 2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4380 -3.4223 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6684 -2.7405 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5629 -3.4176 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0027 -3.1981 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8768 -4.0664 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0162 -3.6352 -1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2257 -1.7365 -4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4887 -0.2481 -3.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6249 -1.5280 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8612 -2.2895 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 -0.0867 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9868 1.4379 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3325 -0.1826 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2075 1.5266 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4686 1.1357 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0217 -0.6716 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -2.8083 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 -1.7900 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 -1.9571 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 -2.7267 -2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 -0.4258 -2.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 0.2795 -1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -1.2730 -3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 0.4933 -3.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 0.0333 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0918 -0.0964 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 2.3789 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 2.4692 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 3.8199 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 4.0935 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5864 4.2268 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3837 5.2102 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 4.6239 3.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0559 2.8987 2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 4.6514 4.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 2.9913 3.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 3.1081 3.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 1.5414 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2668 3.5766 3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 4.3005 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 2.3744 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 1.5052 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3341 2.5965 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5485 4.1862 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 4.0260 3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0708 2.5656 2.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6679 5.2835 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4286 4.6931 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8223 4.5511 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6113 2.9882 1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 3.6514 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3805 2.1033 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0120 2.2807 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7451 3.7659 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3876 0.9498 0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2368 2.4056 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1803 1.1586 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9001 2.4683 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3394 0.9874 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0649 -1.0996 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2720 -1.5391 -1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8749 -0.5678 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3184 -2.2521 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2562 -2.8174 -2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8469 -4.0238 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1954 -4.6513 -1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3484 -2.9702 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7582 -3.7000 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5467 -5.8539 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2928 -5.0958 2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8901 -6.4910 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6958 -5.6813 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7836 -4.4114 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4711 -3.5391 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9039 -5.8234 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7049 -5.2827 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5549 -4.1187 0.0319 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 22 32 1 0 32 33 1 0 33 34 2 0 33 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 44 45 1 0 45 46 1 0 46 47 2 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 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 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M END