HMDB0113240 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -1.8411 4.2158 4.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 5.0779 3.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3949 6.1973 4.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 6.3532 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 5.4631 4.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 4.9129 6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 3.6527 6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 2.6016 5.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1908 1.7012 5.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 0.4201 5.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 -0.3405 6.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 -1.4079 5.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -1.5016 4.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5531 -0.5495 4.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 0.0316 3.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 -0.0613 2.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2193 -0.7147 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 -1.8901 2.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -1.7317 1.4220 C 0 0 0 0 0 0 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19 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 49118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END