HMDB0287239 RDKit 3D PC(20:3(6,8,11)-OH(5)/20:2(11Z,14Z)) 145144 0 0 0 0 0 0 0 0999 V2000 2.5204 -0.8419 -3.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 0.4143 -2.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 0.6721 -1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.4738 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 -0.1511 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 -1.2688 1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4499 -1.9970 2.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 -1.7831 2.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 -1.4887 4.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 -2.2016 5.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -3.4102 4.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1876 -3.3082 5.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -4.5505 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -4.7416 3.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 -3.5730 2.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -3.3535 2.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 -2.1017 2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 -1.8049 2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -0.5385 1.4302 C 0 0 0 0 0 0 0 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-6.2701 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0952 -5.1477 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4013 -5.2187 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 57137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M CHG 2 52 -1 56 1 M END