HMDB0113380 RDKit 3D PE-NMe(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) 138137 0 0 0 0 0 0 0 0999 V2000 13.8119 -0.7225 1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9034 -0.1896 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7629 1.2883 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4571 1.5769 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2913 3.0646 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3118 3.9002 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3410 4.6995 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0955 4.8793 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9054 4.5767 1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0026 3.6448 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0847 2.7376 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9729 2.8282 -1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6123 2.5827 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 2.6773 -1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 2.5517 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 1.3541 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 0.0234 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 -0.2541 -2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 0.0044 -2.9748 C 0 0 0 0 0 0 0 0 0 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20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 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 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 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 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 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