HMDB0289381 RDKit 3D PC(DiMe(9,5)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 140140 0 0 0 0 0 0 0 0999 V2000 -5.0022 0.9823 -3.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1832 0.1522 -4.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 0.6157 -4.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 -0.3019 -5.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 0.0182 -5.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 -0.0738 -4.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 0.9157 -3.7728 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 0.5106 -2.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 1.3360 -1.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 1.3946 -1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 1.8815 -3.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 3.1955 -3.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 3.9358 -4.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 4.3376 -3.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 5.2294 -4.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4916 5.6550 -3.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 4.5350 -2.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2484 4.0307 -3.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 3.9769 -1.6356 O 0 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0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 8 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 6 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 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 20 88 1 0 20 89 1 0 21 90 1 6 22 91 1 0 22 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 1 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 58135 1 0 58136 1 0 58137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 26 -1 30 1 M END