HMDB0285994 RDKit 3D PC(20:3(6,8,11)-OH(5)/16:0) 137136 0 0 0 0 0 0 0 0999 V2000 -4.7245 0.2575 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8835 0.2751 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 1.3395 1.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3971 1.0998 2.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2365 2.1622 3.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0137 2.0201 4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 2.1272 3.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5231 1.9713 4.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 2.1323 3.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 3.0823 3.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 3.4079 2.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 2.6018 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 3.1903 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4556 2.5028 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 3.1555 -1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 2.5050 -3.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2548 3.4701 -4.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 2.0107 -3.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 1.3366 -4.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 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0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 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 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M CHG 2 30 -1 34 1 M END