HMDB0114392 RDKit 3D PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 127126 0 0 0 0 0 0 0 0999 V2000 9.5367 0.2289 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9419 -0.3588 -2.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6701 -1.6249 -2.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3180 -2.7858 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0855 -3.0636 -3.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 -4.0517 -3.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0965 -3.8994 -2.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1517 -2.8523 -2.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3448 -1.6555 -3.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -0.4621 -3.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.1996 -1.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 0.5663 -1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 0.1815 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5312 -1.1053 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -0.7789 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -1.2626 1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 -2.1369 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -1.5026 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -2.4647 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -2.0567 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4413 -2.6943 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8392 -0.9865 -0.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1661 -0.6029 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 0.6693 -1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2568 0.6983 -2.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1862 1.6355 -3.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5586 1.6228 -4.7652 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.7623 1.7964 -3.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5807 2.9060 -5.8603 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7518 0.1316 -5.5515 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 -0.1203 -6.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8187 -1.4420 -7.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 -1.4654 -7.8814 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0187 -2.7785 -8.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2101 -1.3628 -7.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 1.7298 -1.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 2.4655 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5199 2.0905 -1.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 3.6768 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 4.1379 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 3.1147 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 3.5955 1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 2.5329 2.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 2.7100 3.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 3.9454 4.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 4.2687 5.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 3.5606 6.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5239 2.2053 5.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 2.3286 5.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9572 1.6730 5.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7087 0.6880 6.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 -0.6564 6.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 -1.2440 7.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7667 -0.7302 8.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 -0.5197 8.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 -0.4627 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0180 1.1819 -1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4331 0.3803 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 0.4167 -3.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 -0.4037 -3.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6148 -1.5205 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9827 -3.6533 -2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5050 -3.5177 -4.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 -2.1074 -3.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8655 -5.0155 -2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 -4.7922 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 -2.7070 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 -3.3833 -3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5759 -1.7485 -4.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 0.4551 -3.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0786 -0.9987 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 0.5674 -1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6387 1.5563 -2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 0.8213 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 -1.7233 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -1.6680 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.1139 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 -0.9638 2.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 -3.0173 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4655 -2.6375 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -1.3845 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 -0.5032 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -3.3995 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 -2.8350 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 -1.3845 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7768 -0.3900 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1882 0.3475 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 0.7488 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2969 -0.2985 -3.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8575 2.8608 -6.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5511 0.7164 -7.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7396 -0.1741 -5.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9369 -1.6802 -7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8542 -2.2861 -6.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0813 -3.3431 -8.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8687 -3.3918 -8.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1124 -2.5643 -9.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4842 -0.2847 -7.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0064 -1.9708 -7.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0149 -1.7770 -6.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 3.4714 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 4.5069 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 5.1165 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 4.3161 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 2.9792 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 2.1276 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 4.5705 2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 3.7052 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 1.5087 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 1.7781 4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 4.8243 3.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 4.1619 4.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 5.3180 6.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 3.9692 7.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.7529 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 1.5001 6.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 3.0456 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 1.8267 5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3231 1.0653 7.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 0.5022 7.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -1.0985 5.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -2.2220 6.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7318 -1.6191 9.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2895 0.0653 8.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5287 0.5534 8.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8565 -0.9116 9.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6448 -1.0458 7.3737 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 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 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 29 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 55127 1 0 M END