HMDB0114643 RDKit 3D PE-NMe2(24:1(15Z)/20:0) 161160 0 0 0 0 0 0 0 0999 V2000 1.9259 1.3403 -4.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 1.7321 -4.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 3.2589 -4.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 3.7255 -4.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 5.1155 -4.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4861 6.2778 -4.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 6.4555 -4.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 7.7585 -3.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 7.8613 -2.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 7.8847 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 7.8034 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 8.9236 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 9.3268 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 8.2849 1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 7.4900 1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 6.5239 2.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2177 5.5559 3.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 4.5711 1.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 3.7866 1.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 3.0487 2.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 2.3650 2.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5459 1.3299 1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 0.0402 1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 -0.0455 1.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 0.1270 2.9724 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 -0.3646 0.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 -0.4661 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 -1.0091 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6611 -0.0642 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 0.1636 -1.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 1.2066 -3.0890 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9372 1.7269 -3.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4595 2.4785 -2.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1506 0.3257 -4.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 -0.4137 -4.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -1.2277 -6.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 -2.1999 -6.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8422 -2.9431 -7.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -3.1171 -4.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9893 -2.2436 -0.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5297 -3.4717 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6078 -3.5600 0.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8193 -4.7162 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4434 -5.9166 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 -7.1208 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -7.0915 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -7.1262 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 -6.1250 2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 -6.4719 3.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -5.5789 4.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -4.1288 4.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -3.5912 4.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 -3.8927 5.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -3.2049 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 -3.6097 3.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -5.0340 3.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9607 -5.6060 2.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -5.0643 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 -3.6766 1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 -3.4050 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -1.9835 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 0.5456 -3.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 2.2622 -4.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 1.0409 -5.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 1.6418 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 1.2009 -5.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 3.5083 -5.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 3.6701 -3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 3.6306 -3.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5581 3.0000 -5.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 5.2425 -4.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 5.2446 -6.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 6.3208 -3.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0071 7.2111 -4.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 6.5572 -5.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 5.6619 -3.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 8.5558 -4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 8.0296 -3.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 7.9198 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7153 7.9744 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 7.5650 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4368 6.8598 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 9.8398 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 8.6488 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 10.1718 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 9.7972 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1243 8.7605 2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 7.5486 1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 8.2325 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 6.9907 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 6.0831 2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 7.1770 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 6.1524 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 5.0814 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3062 3.9162 2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7851 5.1551 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 4.4148 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5588 3.0179 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 2.4147 3.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 3.8147 3.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 3.2206 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 2.0469 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 1.7510 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 1.1401 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1829 -0.6958 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 -0.4022 2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1392 0.5217 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 -1.1766 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 -1.1822 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0652 0.9359 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3366 -0.4063 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 3.2410 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5257 -1.0858 -4.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1213 0.2923 -5.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9601 -1.7705 -6.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 -0.5565 -6.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -3.8656 -7.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 -2.3691 -8.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 -3.2894 -7.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 -2.6223 -3.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2269 -3.5370 -4.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 -3.9877 -5.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 -4.6204 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -4.8051 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5222 -6.0329 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 -5.8650 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1874 -7.9974 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -7.3190 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 -8.0057 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 -6.2535 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 -8.1902 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -7.0570 1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 -5.1134 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -6.3094 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -6.4723 3.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -7.5073 3.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -5.9480 5.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 -5.7606 4.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 -3.6433 5.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -3.7253 3.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0595 -2.4882 4.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 -3.9581 3.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 -3.4578 6.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 -4.9783 5.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 -3.3629 5.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 -2.1112 4.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 -2.9291 3.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -3.2783 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2495 -5.1370 4.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 -5.7063 3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -5.7195 1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1896 -6.7210 2.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6265 -5.7661 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 -5.1458 2.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3176 -2.8878 1.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 -3.6297 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 -4.0771 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 -3.6041 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -1.4706 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4081 -1.8736 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -1.4062 0.1380 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 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 28 40 1 0 40 41 1 0 41 42 2 0 41 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 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 22103 1 0 22104 1 0 23105 1 0 23106 1 0 27107 1 0 27108 1 0 28109 1 0 29110 1 0 29111 1 0 33112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 38117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 M END