HMDB0114245 RDKit 3D PE-NMe2(20:2(11Z,14Z)/18:1(11Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -6.2281 4.0385 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 2.5686 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 2.4184 -2.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7058 0.9555 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4132 0.8731 -4.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3129 -0.5486 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3649 -1.2426 -5.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0566 -0.8114 -5.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 0.5898 -5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 1.0471 -4.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.2830 -4.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 0.4616 -4.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 -0.0086 -5.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 -0.0057 -6.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 1.2305 -6.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 1.9104 -5.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 1.0194 -4.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6966 -3.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3394 3.0012 -3.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6024 3.5686 -2.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 2.8738 -1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1593 4.8132 -1.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 5.4388 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 4.6594 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 4.6356 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 4.0773 1.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 4.1300 0.4742 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7635 3.8735 -1.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 5.7290 0.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 3.1117 1.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7459 2.0143 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 1.1799 1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 0.0104 0.6198 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -0.9790 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 -0.4843 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0211 3.3900 0.8993 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 2.7332 2.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 3.3210 3.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8254 1.3639 2.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 0.7069 3.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 0.4072 3.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 -0.5552 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -0.9730 3.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -1.6028 4.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 -2.1535 5.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -3.2785 4.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -3.8017 4.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -2.8227 4.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 -3.0241 4.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -4.2135 3.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -3.9242 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9716 -5.1814 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9631 -6.2581 1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 -5.9454 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -4.8320 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8814 4.2369 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3204 4.2842 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 4.6634 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2442 2.1462 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0064 2.0027 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 2.9847 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20 22 1 0 22 23 1 0 23 24 1 0 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 1 0 47 48 1 0 48 49 2 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 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M END