HMDB0113688 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 2.4422 6.3406 -1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 6.7789 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 7.0215 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 6.3662 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 5.2772 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 4.0429 2.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 2.9402 2.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 2.7586 1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 1.7264 1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.5683 1.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 0.2105 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4717 -0.9920 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -1.0658 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 0.0988 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -0.4662 -1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3245 -0.4595 -2.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 0.0507 -1.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 -0.6125 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 -1.8642 -1.0754 C 0 0 0 0 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33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M END