HMDB0260729 RDKit 3D PE(18:1(12Z)-2OH(9,10)/14:1(9Z)) 119118 0 0 0 0 0 0 0 0999 V2000 10.9951 3.0706 2.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 2.4121 2.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 1.6303 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5809 0.5096 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 -0.1704 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1913 -0.2790 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 0.2803 -1.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8267 1.2771 -2.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5151 1.9407 -2.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9826 2.7270 -1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6585 3.3294 -2.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6444 2.3091 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 1.3998 -1.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 0.3676 -1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 0.2370 -2.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -0.5193 -0.6796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -1.5199 -0.9895 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5859 -1.1290 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 -2.0559 -0.6010 O 0 0 0 0 0 0 0 0 0 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1.0673 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3231 -2.9032 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 -3.0611 0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0329 -4.6085 1.1412 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8638 -5.2543 1.8604 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 -5.4708 -0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 -4.7020 2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8556 -3.4678 2.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1081 -3.5942 3.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1937 -4.1880 2.6316 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3154 2.6551 3.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 3.0301 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1260 4.1475 2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4105 1.7246 3.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 3.1515 2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 2.2734 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6020 1.1776 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6839 -0.2168 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6000 0.9604 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9439 -0.6215 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5246 -0.8100 -2.2377 H 0 0 0 0 0 0 0 0 0 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14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 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 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 17 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 6 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 1 30 93 1 0 31 94 1 1 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 45113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 M END