HMDB0289316 RDKit 3D PC(20:3(6,8,11)-OH(5)/DiMe(9,3)) 138138 0 0 0 0 0 0 0 0999 V2000 -0.5279 -6.4921 2.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 -7.0844 1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -6.1593 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 -6.7015 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -6.8980 -1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -7.4260 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -6.5033 -3.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -5.1345 -3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 -4.2128 -4.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -3.7013 -5.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 -2.7626 -6.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 -1.4570 -6.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6607 -0.3508 -6.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 0.9521 -6.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 2.0592 -5.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 3.4000 -5.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 4.0123 -4.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4589 3.2905 -5.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 4.6210 -5.5519 C 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1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 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 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 49 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 0 24 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 35101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 37109 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 47122 1 0 47123 1 0 48124 1 0 48125 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 30 -1 34 1 M END