HMDB0261584 RDKit 3D PE(18:3(6Z,9Z,12Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 128127 0 0 0 0 0 0 0 0999 V2000 4.7251 3.1838 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 2.5561 3.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 3.3280 4.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 3.8781 4.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 3.8106 3.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 3.1763 4.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 2.1165 3.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 1.3200 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 1.3250 1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2997 0.2316 1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9306 -1.0859 1.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -1.9834 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 -3.1136 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -3.5353 1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9586 -4.6563 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -5.5270 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 -6.8716 0.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 -5.1224 -1.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 -5.8894 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0149 -5.3283 -3.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 -3.9300 -3.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -3.1125 -4.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0589 -1.7328 -4.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0741 -1.4953 -3.7781 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 -0.6026 -5.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8498 0.6525 -5.0170 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7716 1.7468 -4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 2.8342 -4.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 2.4938 -2.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5236 1.3281 -2.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 3.2675 -2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 2.6428 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 3.2313 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5513 2.5979 -1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 1.1550 -1.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 0.4015 -1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 0.9733 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.4167 -0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 -0.3367 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7472 -0.6978 1.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 -2.1720 1.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2036 -2.9608 2.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 -2.4911 3.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 -2.8537 5.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 -4.3683 5.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0372 -4.7331 6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0034 -4.2650 7.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 1.0717 -6.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 2.2808 -6.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6323 2.8503 -7.3698 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2080 2.3819 -7.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 2.3145 -8.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 4.5318 -7.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8808 5.0092 -6.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 6.5206 -6.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 6.9233 -4.6531 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 2.9243 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6711 2.7903 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 4.2827 2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 1.5716 3.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7259 2.2851 2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 3.4508 5.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 4.4405 5.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 3.4120 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 4.9083 3.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 3.6807 5.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 1.7560 4.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 0.3651 2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 1.9008 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9949 2.3108 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 0.3495 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 -1.1212 2.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -1.4426 2.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -1.6861 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 -3.6720 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 -2.9766 2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 -4.9537 1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -5.5698 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -7.3923 0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 -5.3834 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5829 -4.0285 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5921 -6.9842 -2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 -5.9663 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 -3.3194 -2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 -3.8579 -4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6349 -3.1456 -4.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5709 -3.5304 -5.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 0.4706 -4.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 1.4948 -3.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3844 2.2111 -5.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4231 3.1084 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 4.3347 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.5385 -2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 2.8084 -3.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 4.3109 -1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0547 3.1137 -0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 3.1479 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 2.8973 -2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 0.6091 -2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1029 -0.7148 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 2.0731 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 0.6601 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8572 0.6836 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1864 -0.7001 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -0.1445 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6258 -0.4073 2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 -2.6535 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 -4.0500 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1508 -2.9619 3.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3009 -1.4225 3.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 -2.5447 5.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7126 -2.3417 5.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4731 -4.8464 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -4.7015 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9404 -5.8323 6.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -4.2331 6.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5928 -4.6880 8.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0349 -4.6294 7.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -3.1752 7.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 0.3220 -6.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 1.0941 -7.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 1.3613 -8.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 4.7049 -5.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 4.6287 -5.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 6.9523 -6.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 6.9088 -6.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 6.7721 -4.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 6.5266 -4.2782 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 52122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 M END