HMDB0114274 RDKit 3D PE-NMe2(20:3(5Z,8Z,11Z)/18:1(11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 1.8628 1.2306 2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 2.1292 2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 1.8922 3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 2.8365 4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5014 2.7934 5.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 1.3862 5.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 1.4372 7.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 0.7291 8.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -0.3123 8.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 -0.9114 7.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5053 -1.9782 7.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -2.8254 6.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -2.3166 5.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -1.5086 4.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -2.1983 4.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 -3.4660 3.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -3.3244 2.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 -2.6018 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -2.1946 1.1089 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.3267 0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 -1.6369 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -2.4966 -2.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -1.7690 -3.3308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 -2.2370 -4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 -3.3885 -4.9271 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1274 -1.3577 -5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 0.0657 -5.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 1.0126 -6.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 0.9877 -5.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 2.0299 -5.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 3.3544 -5.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 3.8587 -4.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 4.9952 -3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 5.9543 -4.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 6.3282 -4.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3749 6.1064 -4.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 5.4100 -6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3728 4.1984 -5.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9619 3.3982 -4.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8261 2.1964 -4.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4775 1.4036 -3.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0682 0.9286 -3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8069 0.1128 -1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 -0.3393 -2.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -0.3232 -1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 -0.5737 -1.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7434 0.8965 -1.9010 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3847 1.8896 -0.8133 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 1.5696 -3.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 0.6261 -1.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 -0.6829 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.7611 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6353 -2.1256 -1.2489 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0886 -2.2772 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1094 -2.5146 0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 1.7938 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 1.1082 3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5299 0.2906 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 1.9237 1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 3.2090 2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 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 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 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 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END