HMDB0112977 RDKit 3D PE-NMe(14:1(9Z)/24:1(15Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -4.0411 4.8185 4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 4.8465 3.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9938 4.7584 2.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1134 5.9679 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8152 5.8724 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 5.7758 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 5.7539 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 4.4235 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 4.3853 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 3.0685 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 2.9721 1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 3.9356 1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2997 3.9947 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 4.3588 -1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 5.5830 -1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 3.4609 -1.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 3.7653 -3.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 2.4576 -3.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 1.6716 -4.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 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1 0 25 26 1 0 26 27 1 0 27 28 1 0 18 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 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 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 28 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 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 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END