HMDB0113445 RDKit 3D PE-NMe(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -11.4994 4.7333 2.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5815 4.6806 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2584 3.3519 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3473 3.0960 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0238 3.0789 -1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5192 4.2996 -1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4676 4.5375 -2.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3937 3.6846 -2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4513 2.2754 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5690 1.6061 -1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3830 2.2496 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3754 2.0568 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4279 1.4009 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3016 0.8036 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 1.3571 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9566 0.6825 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0233 -0.7812 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 -1.4687 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 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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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 53128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M END