HMDB0260990 RDKit 3D PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) 124123 0 0 0 0 0 0 0 0999 V2000 12.7575 4.7806 -2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8181 3.7262 -2.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3655 2.3904 -2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8689 2.2898 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6932 3.1219 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3171 2.8506 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 1.4469 1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7677 1.0660 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 1.9816 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4158 1.7273 1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 0.3392 1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7107 -0.0916 0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 0.8298 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 0.9230 2.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8099 -0.3108 3.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -0.9548 2.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.9408 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 -0.5520 1.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -1.1965 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -2.6462 0.8168 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9550 -2.7088 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -4.0014 -0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 -4.1615 -2.0602 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0555 -2.9475 -2.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -4.2314 -1.6133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -5.5063 -3.0337 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -6.5367 -2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 -7.7868 -2.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -8.7744 -1.8555 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 -3.1765 0.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -4.1619 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 -4.6124 2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 -4.7338 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8678 -3.8738 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 -2.4564 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -1.7827 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0654 -1.2972 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 -1.3491 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 0.0882 1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 0.6125 1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4906 -0.2559 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2969 -0.2524 2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5350 0.1228 2.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4417 0.6018 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1414 0.6854 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0849 1.7777 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3296 3.1221 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5330 3.6842 -1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8690 5.0697 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0515 5.5863 -1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2686 4.7110 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3255 5.2697 -1.9749 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7269 4.3893 -2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 5.5834 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8475 5.3322 -3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 3.6219 -3.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6612 4.0594 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1828 1.6213 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5427 2.0139 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5949 1.2138 -0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 2.5610 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8022 2.9064 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9532 4.2161 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5250 3.5591 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2353 3.0660 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 0.6321 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6293 -0.0180 1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9218 3.0414 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 1.7436 3.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6662 2.5028 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7575 1.8253 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 0.1508 2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7689 -0.3557 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 -1.1377 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9179 -0.0075 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 1.8384 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 0.4699 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 1.4708 3.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 1.6403 2.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -1.1122 3.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -0.0439 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -1.1386 1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 -0.6962 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -3.1631 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9128 -2.2089 -0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -2.1421 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -3.3148 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 -6.1339 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 -6.7200 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8171 -8.1390 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1093 -7.5393 -3.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5568 -9.2262 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2711 -8.2556 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -5.7647 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8301 -4.8298 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8021 -4.3175 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 -3.7856 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 -1.9397 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6159 -2.4650 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -1.6958 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5465 -0.8149 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 -2.0136 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2045 -1.7100 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2023 0.7401 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4205 1.6766 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9886 0.0519 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1766 -1.2927 0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8382 -0.5884 3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0060 0.0687 3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4287 -0.0537 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8960 1.5896 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9739 -0.2524 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8380 1.7213 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4721 3.2228 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4435 3.7989 -0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3576 2.9727 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2743 3.6209 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0069 5.7515 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2094 4.9555 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2498 6.6349 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8470 5.5682 -2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0946 3.6957 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5375 4.6367 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4945 6.2059 -1.7221 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 2 0 8 9 1 0 9 10 1 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 2 0 16 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 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 19 82 1 0 19 83 1 0 20 84 1 1 21 85 1 0 21 86 1 0 25 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 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 37101 1 0 38102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 M END