HMDB0114024 RDKit 3D PE-NMe2(18:1(11Z)/20:3(5Z,8Z,11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 9.5211 -4.9968 4.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4969 -5.4930 2.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -5.0761 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1297 -3.6460 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7597 -2.7788 2.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 -3.1781 3.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1842 -2.2226 4.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1558 -1.4249 4.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -1.3645 3.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 0.0052 2.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0724 0.2459 1.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 -0.7079 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 -0.5706 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -0.7512 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 -2.0519 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7435 -2.4563 0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -1.6539 1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -0.3322 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 0.1260 0.2244 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 0.4644 2.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 1.7273 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2823 1.6056 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3941 0.6654 1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -0.5797 1.7683 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2585 -1.5129 2.2392 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.3597 -0.6484 2.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8408 -2.2323 0.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7792 -2.7195 3.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 -3.7744 3.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2601 -4.8618 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1497 -4.4414 5.6163 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1263 -3.5215 5.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2515 -4.5711 6.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 2.8190 0.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 3.3849 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 2.7362 -1.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4902 4.6087 -1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1522 4.9038 -2.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5611 3.8315 -3.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2033 4.2152 -4.8831 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30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 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 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 27 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 32 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 33104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 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