HMDB0112948 RDKit 3D PE-NMe(16:1(9Z)/16:1(9Z)) 120119 0 0 0 0 0 0 0 0999 V2000 11.9449 6.5313 -2.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5011 6.2544 -1.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3899 4.8010 -1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3013 4.5949 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2929 3.2038 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8992 2.8324 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8964 1.4559 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1399 0.5193 0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1536 0.6060 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8102 0.1454 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4664 1.0576 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 0.6631 2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -0.7342 2.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -1.1204 3.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 -1.1503 2.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 -2.0553 1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -2.5537 0.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6264 -2.4329 0.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -3.2699 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 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1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 20 31 1 0 31 32 1 0 32 33 2 0 32 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 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 30 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 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