HMDB0289419 RDKit 3D PC(DiMe(9,5)/20:3(6,8,11)-OH(5)) 144144 0 0 0 0 0 0 0 0999 V2000 1.4996 2.1404 -5.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5869 2.9254 -6.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 3.7339 -6.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 4.8340 -5.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 4.5115 -4.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 5.8333 -3.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0553 5.5840 -2.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 6.8493 -1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 6.5085 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 6.9129 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 6.5569 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 5.7879 1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 4.5293 2.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 3.9193 3.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 2.6758 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 2.1185 4.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 0.9226 5.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 1.9341 3.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.9966 2.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 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0 0 0 0 -5.9687 4.8326 0.6273 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 39 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 47 37 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 46124 1 0 46125 1 0 46126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 53 -1 57 1 M END