HMDB0114243 RDKit 3D PE-NMe2(20:2(11Z,14Z)/16:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -13.8319 5.3476 -2.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8720 4.4349 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9432 3.0089 -1.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0407 1.9674 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9445 1.7481 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6720 2.8851 1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5572 3.5175 1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2788 3.3186 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0653 2.3201 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2371 1.2959 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3895 0.9927 1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 1.0017 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6232 -0.0171 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 0.0099 -0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2895 -0.3130 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6334 -1.6704 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 -2.0784 2.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 -2.1183 1.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 -3.1034 0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -3.1886 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 -2.5127 1.2149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1978 -3.9978 -0.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -4.2081 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 -3.0152 -1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -3.3844 -1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -3.6894 -0.8272 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 -4.1403 -1.1881 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5518 -3.2929 -0.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -4.1843 -2.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 -5.7325 -0.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 -6.4776 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -7.9155 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -8.0775 0.6245 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -7.7008 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 -7.4100 1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 -1.9164 -0.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 -0.6683 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -0.4945 -2.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 0.5127 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 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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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 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 53133 1 0 M END