HMDB0114559 RDKit 3D PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) 135134 0 0 0 0 0 0 0 0999 V2000 11.4042 -7.1572 0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0302 -5.7896 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0939 -4.6976 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3176 -3.7531 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5439 -3.6450 2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 -2.5389 2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4437 -1.5179 1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4714 -1.1404 0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 0.2344 0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7626 0.6481 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5738 -0.1791 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5686 0.1226 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 1.0164 -0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5376 2.0093 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2384 3.4251 -1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 4.0191 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9011 3.4356 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 3.7374 -1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 3.2001 -0.7659 C 0 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1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 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 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 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