HMDB0113448 RDKit 3D PE-NMe(20:4(5Z,8Z,11Z,14Z)/24:0) 152151 0 0 0 0 0 0 0 0999 V2000 -17.7734 -2.6403 2.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5576 -1.7468 2.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4229 -2.1546 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2838 -1.2061 1.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0628 -1.4863 0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5466 -2.8420 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4361 -3.7416 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8334 -3.4955 -1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6224 -3.6849 -2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0528 -2.7957 -2.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5144 -1.4461 -3.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7674 -0.2856 -2.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6399 -0.2152 -2.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7769 -1.2976 -1.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 -1.0282 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5166 -0.7931 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2482 -0.7592 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 -1.8269 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0409 -1.5407 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 -0.1920 1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5794 0.5292 2.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 0.2594 0.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 1.5483 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 1.9737 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 3.4321 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 3.5607 0.8799 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 5.2127 1.0770 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1888 5.3786 2.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 5.6352 0.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 6.1853 0.7637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 7.4536 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 8.2948 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5565 7.7265 -0.9297 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1945 6.4923 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 1.2427 -0.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8948 0.5836 -1.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 0.6669 -2.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.1987 -2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 -0.0036 -1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 1.4118 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 1.7957 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 1.3117 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -0.1132 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2977 -0.9034 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7233 -2.3062 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1351 -2.6609 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0539 -2.5622 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.3386 2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1256 -0.2595 1.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4264 -0.8412 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 0.2212 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4546 -0.4352 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 0.5738 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4883 0.0934 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4723 -0.4194 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7543 -0.8956 -1.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7205 -1.3965 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2530 -2.5523 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3184 -2.9985 1.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7109 -1.9169 2.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1039 -2.4652 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4966 -3.6830 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5505 -2.2566 2.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8048 -0.6936 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1584 -1.8265 3.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8269 -2.0225 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1341 -3.2240 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6673 -0.1832 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0684 -1.2712 2.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2267 -1.1465 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2667 -0.7943 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2174 -3.1474 2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0395 -4.7525 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4185 -2.6103 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5071 -4.3838 -1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1626 -4.6825 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1453 -3.1103 -3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7486 -1.3069 -4.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5973 -1.4075 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2292 0.7048 -2.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2189 0.8068 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8319 -1.2257 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1337 -2.3175 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5817 -1.0412 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5034 -0.5910 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7735 0.2717 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2708 -0.7750 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 -2.8361 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -1.6813 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.3190 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9824 -1.5220 2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 1.6927 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 2.2589 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 1.9227 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 3.9801 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 3.8707 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 5.8062 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 7.4252 -0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 7.9055 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 9.3604 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 8.3515 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1104 7.7200 -1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 6.5489 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 6.2824 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 5.6661 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.1788 -3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 -1.2797 -2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 -0.2668 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1607 -0.7558 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9175 2.0594 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 1.7868 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 2.9402 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 1.6673 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 1.8379 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5998 1.7324 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 -0.1674 -0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 -0.6857 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 -0.3660 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -0.9344 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1596 -2.6984 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -2.9725 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -3.7514 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5327 -2.0579 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6867 -3.2943 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0378 -3.0871 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 -1.6740 3.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -0.8474 2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.1280 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 0.5527 2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0218 -1.2626 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1378 -1.6883 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5137 0.5018 -0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3880 1.0891 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1222 -1.3076 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0671 -0.6970 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5136 1.3862 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 1.1108 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9324 0.8028 -2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2125 -0.8020 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7958 0.3372 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0345 -1.3268 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5278 -1.6973 -2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1836 0.0038 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6821 -1.6739 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9374 -0.5620 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0034 -3.4486 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3536 -2.3260 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1982 -3.4223 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8891 -3.8547 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3604 -1.1663 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2864 -2.4367 3.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7791 -1.5055 2.7677 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 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 24 35 1 0 35 36 1 0 36 37 2 0 36 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 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 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 34103 1 0 34104 1 0 34105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M END