HMDB0113097 RDKit 3D PE-NMe(18:0/20:3(8Z,11Z,14Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -12.0870 -6.2633 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3160 -5.7396 1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2450 -5.0101 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6310 -3.8231 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1453 -2.7605 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5652 -1.6516 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3491 -1.2090 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3601 -1.8776 1.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2403 -2.4038 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0112 -2.0185 0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 -1.0181 1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0451 0.1797 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8562 0.6010 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9193 0.0013 2.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 0.8850 3.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 2.1620 3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 2.4513 2.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1716 2.3698 1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 1.1375 0.3863 C 0 0 0 0 0 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31 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 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 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 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 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 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 49128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END