HMDB0114235 RDKit 3D PE-NMe2(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 145144 0 0 0 0 0 0 0 0999 V2000 6.1929 7.4357 -8.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1656 8.4787 -8.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2263 8.6361 -6.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 8.4048 -5.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 7.9594 -6.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 8.9321 -5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 8.7302 -4.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6531 7.5320 -4.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 6.3805 -4.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 5.1918 -4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 4.7879 -4.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 4.1686 -6.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 2.9154 -6.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 2.1192 -5.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 1.6394 -5.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8043 0.3738 -5.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 -0.7329 -5.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -1.5907 -3.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 -0.8867 -2.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 0.0454 -2.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7915 -0.7209 -1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -1.5482 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 -1.5060 0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5058 -2.3623 0.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 -3.1083 1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0269 -2.4408 2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9718 -2.8255 3.6476 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 -2.8438 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 -2.5153 3.9083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 -3.2241 5.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 -3.1865 6.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 -1.8888 6.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 -1.7925 7.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 -0.5353 7.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -0.5557 6.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5348 0.7120 6.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 1.7824 5.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 3.1357 5.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 3.9709 4.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 4.4369 3.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 4.1453 2.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 3.2968 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 3.6709 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 2.5110 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 2.3353 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 1.1445 -2.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -0.1614 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -1.3436 -2.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4837 -4.5344 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 -4.8874 -0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -6.4487 -0.5986 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5984 -6.4574 -2.1153 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4304 -6.9845 -0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 -7.5622 0.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 -7.4237 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 -8.5267 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -8.5605 -0.1455 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4275 -7.4546 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 -9.7948 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9558 7.0985 -9.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2033 7.9032 -8.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 6.5706 -7.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2196 8.2021 -8.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 9.4411 -8.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2018 8.9675 -6.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 8.5703 -4.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 8.0974 -7.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 6.9043 -6.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 9.9389 -6.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 9.6414 -4.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 7.9132 -3.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 7.2220 -4.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 6.4463 -3.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 4.3864 -4.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9323 5.6743 -5.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 4.2155 -4.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 4.7463 -7.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7788 2.4425 -7.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 2.4776 -4.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3892 1.1695 -5.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2069 2.4351 -5.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 0.1946 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -1.4652 -5.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 -0.5750 -5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 -2.1702 -3.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0645 -2.3884 -4.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1733 -1.6265 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -0.2879 -2.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.6266 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 0.8176 -2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 -1.3384 -2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 0.0204 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1428 -2.8876 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 -2.4054 1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -1.3348 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -2.4871 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5186 -4.2113 5.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 -3.4580 7.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -4.0026 6.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7673 -1.0485 6.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -1.7723 5.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2436 -2.6380 7.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -1.8312 8.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 0.3981 7.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -0.5286 8.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 -1.3835 6.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -0.7547 5.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 0.5710 5.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 0.9923 6.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 1.9831 6.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 1.5167 4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 3.5429 6.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 2.9824 4.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 4.1580 5.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 5.0482 3.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 5.2056 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 3.9363 3.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 2.2184 1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 3.2094 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4921 3.7445 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 4.5692 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 1.5917 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 2.8122 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 2.1977 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 3.2175 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 1.1365 -2.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 1.2205 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9763 -0.1659 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 -0.3010 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 -1.7495 -2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7275 -2.1390 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9258 -1.0390 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3388 -5.2262 1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 -4.6796 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0757 -6.4021 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -6.4414 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -7.6110 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 -8.4729 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -9.5340 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -7.2596 1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 -7.6161 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 -6.5070 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 -10.3127 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -9.6353 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -10.5207 -0.6953 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 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 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M END