HMDB0289410 RDKit 3D PC(18:3(10,12,15)-OH(9)/DiMe(9,5)) 138138 0 0 0 0 0 0 0 0999 V2000 -5.4211 -3.0295 -1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5758 -2.8968 -3.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -3.1382 -3.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 -4.1019 -4.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 -4.3364 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8528 -3.3372 -4.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2395 -2.4491 -5.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 -1.5395 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3719 -0.6029 -5.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 0.3080 -4.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 0.4977 -5.6356 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 1.6680 -4.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 2.5802 -3.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0637 3.9416 -3.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 4.9049 -2.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 4.3603 -1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 4.1201 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 3.6126 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 2.3201 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 1.5870 1.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 1.8792 -0.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 0.7082 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 0.5132 1.0125 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3926 -0.7408 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 -1.8190 0.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -3.3035 0.4017 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5224 -3.5495 1.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 -3.5375 -1.2641 O 0 0 0 0 0 1 0 0 0 0 0 0 4.1135 -4.5064 0.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 -4.3436 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -5.3855 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 -6.7393 0.4366 N 0 0 0 0 0 4 0 0 0 0 0 0 3.7157 -7.0040 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -7.0821 -0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -7.5641 1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 0.4363 2.2674 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 1.2638 3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0166 2.2132 3.1999 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5359 1.0278 4.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 2.2424 5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 2.1829 6.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 1.8679 7.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 2.8178 6.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6681 2.4696 6.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0824 1.1190 6.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 0.7838 4.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 1.5790 3.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5113 2.5539 3.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 3.0269 2.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 4.1136 1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 3.5704 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 4.6885 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0424 4.0982 -2.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 3.2239 -2.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6534 2.3095 2.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0612 2.4792 2.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 1.3835 3.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 0.3968 4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4457 -2.8271 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1345 -4.0335 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 -2.2192 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28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 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 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 49 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 47 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 1 24 91 1 0 24 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 28 -1 32 1 M END