HMDB0114303 RDKit 3D PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -14.8935 3.1995 2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7975 4.6593 2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3842 5.0248 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0863 4.7974 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3949 3.5296 0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8978 2.7203 1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5449 2.5244 1.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6536 3.1516 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8617 2.1888 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5438 2.1957 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6187 3.0913 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 2.6044 1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3907 1.3998 1.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0918 0.1756 1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4052 -0.9334 0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8431 -0.8484 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7103 -0.0888 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 1.3733 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 1.8697 -1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 1.1734 -1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 1.7232 -0.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 -0.0743 -1.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -0.6599 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -2.0054 -1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -2.8603 -1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -4.1174 -1.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 -5.1758 -1.0678 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5913 -4.4949 -0.1195 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4596 -5.8358 -2.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 -6.4334 -0.2691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 -7.0258 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -8.1501 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -9.1999 0.5078 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 -10.2279 1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -8.6798 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -2.6569 -1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -3.1380 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 -2.9346 -3.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8818 -3.8477 -1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 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24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 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 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END