HMDB0287231 RDKit 3D PC(18:3(9,11,15)-OH(13)/20:2(11Z,14Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -4.0375 -6.6688 -8.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7517 -7.7967 -7.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 -7.2101 -6.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 -7.4981 -5.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 -6.8618 -3.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5971 -7.9027 -2.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 -8.7298 -2.5439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -7.2842 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9866 -7.0216 -0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5002 -6.4095 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2778 -6.1482 1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 -5.5322 3.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 -5.0693 3.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 -3.9505 2.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -2.5815 2.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 -2.2109 2.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5932 -2.3908 1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0905 -1.6544 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -1.9283 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4145 -3.0432 -0.9652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7343 -0.9785 -0.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -1.2857 -0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -0.0787 -0.6421 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2046 1.1250 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 1.3108 -0.7892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1737 2.6832 -1.4941 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8787 3.8436 -0.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 2.5328 -1.5515 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5126 3.0163 -2.9932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 4.3180 -3.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 4.6950 -4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 3.8981 -4.7581 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2911 2.5835 -5.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 4.5789 -5.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 3.7349 -3.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 -0.2410 -1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -0.2316 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.0571 0.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2377 -0.4174 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 -0.3436 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 0.9632 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4272 0.8701 1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6266 2.1389 2.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1007 3.2872 1.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 4.4997 2.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0449 4.9877 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0348 5.4077 2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7876 5.9079 2.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 5.3942 2.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 4.2638 1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 3.0769 2.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 2.8172 3.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4975 3.6377 4.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 4.0092 5.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 4.8391 6.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 4.1639 7.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 2.8773 8.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4744 -5.7828 -7.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8433 -6.9931 -9.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1415 -6.4071 -9.0742 H 0 0 0 0 0 0 0 0 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1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 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 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 28 -1 32 1 M END