HMDB0114343 RDKit 3D PE-NMe2(20:4(5Z,8Z,11Z,14Z)/22:0) 149148 0 0 0 0 0 0 0 0999 V2000 -1.4842 5.6161 4.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 5.0494 4.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 4.3838 5.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 3.3720 5.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 2.5097 4.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 1.6768 4.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 0.4067 3.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3599 -0.1836 3.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.4038 3.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4823 -2.4030 4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.6922 5.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 -4.0777 4.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -4.2749 4.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -3.1527 3.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 -3.4478 4.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 -3.2047 3.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 -2.6601 2.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 -1.2657 2.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 -0.3064 3.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 0.0027 2.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 1.0121 3.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 -0.6946 1.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 -0.4748 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 -1.0274 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 -2.0013 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 -1.9794 -0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 -2.2448 -1.3199 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1589 -1.1178 -0.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -1.3569 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -3.5255 -1.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -4.8397 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 -5.1969 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 -6.4949 0.5895 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 -7.1967 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -6.4658 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -0.6214 -1.0419 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7378 0.4250 -1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 0.8563 -2.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7723 1.2463 -2.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 2.6390 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 3.4507 -1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0394 3.0573 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 3.7077 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 3.3267 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 3.6926 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 2.8353 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 2.7680 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5778 2.3822 -1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 3.4810 -2.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 3.0593 -3.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 2.5833 -4.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 1.4587 -4.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 1.3172 -5.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 0.1482 -5.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.1809 -5.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 -2.0025 -5.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -1.5038 -6.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5069 -2.6459 -6.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 -3.3617 -5.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 5.3635 4.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 6.7147 4.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 5.2118 3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 4.2845 3.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6217 5.8478 4.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 5.1561 6.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 3.9297 5.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 2.7149 6.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0585 3.8882 6.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 1.7143 5.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 2.9515 3.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 2.0553 4.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -0.1098 3.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 0.6615 3.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4012 -0.2042 2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 -1.5032 3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -3.2564 4.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.6585 6.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -2.0084 4.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4231 -4.8667 4.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6915 -5.2704 3.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 -3.3873 2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 -2.1756 3.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 -3.9135 5.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7163 -3.4593 4.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 -2.6147 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 -3.2559 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 -0.8663 1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4924 -1.4676 3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2185 0.5780 3.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -0.8110 4.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -1.1433 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7007 0.5097 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 -0.0242 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 -3.0471 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 -1.8842 -2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -0.4284 -2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 -5.2999 -1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 -5.3053 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 -4.5734 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -4.7223 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -8.0942 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 -7.5952 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 -6.5794 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -7.4003 2.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 -6.2164 2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 -5.6276 2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 0.7277 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5954 1.3913 -3.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6966 3.1702 -2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 2.4829 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 4.5083 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 3.2522 -2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 2.0476 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 3.6442 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 4.8112 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 3.3464 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 3.5966 -2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 2.1491 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 4.7406 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 3.5376 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 1.7728 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 3.1778 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 3.7250 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0258 1.9586 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 1.4737 -1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6252 2.0515 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6314 4.1413 -1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 4.1767 -2.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9497 3.9713 -4.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2853 2.3512 -3.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 3.4666 -5.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 2.3972 -5.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 1.6942 -3.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9929 0.5394 -4.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 2.2650 -5.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1508 1.2859 -6.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 0.2878 -4.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 0.3624 -6.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 -1.8342 -5.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8338 -1.4592 -7.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4768 -2.1880 -4.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 -3.0219 -6.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 -0.8086 -5.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3439 -1.0628 -7.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3946 -2.2554 -6.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 -3.4143 -7.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 -2.8096 -4.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9144 -3.8449 -5.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -4.2743 -5.0120 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 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 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 M END