HMDB0289257 RDKit 3D PC(DiMe(9,3)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 138138 0 0 0 0 0 0 0 0999 V2000 -4.4908 -3.7453 -7.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0387 -4.7818 -6.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 -6.0265 -7.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -5.6660 -8.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -6.8360 -8.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -7.9656 -8.1343 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1467 -8.5592 -7.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 -7.8629 -7.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -7.1343 -6.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -7.2021 -5.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -6.5195 -4.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3201 -5.6662 -4.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 -5.0532 -3.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -4.1676 -2.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -3.6364 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0785 -2.7355 -0.2069 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4864 -1.6121 -0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9755 -2.3333 0.9406 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7370 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23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 26 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 39 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 6 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 1 17 83 1 0 18 84 1 1 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 46118 1 0 46119 1 0 46120 1 0 48121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 58130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M CHG 2 53 -1 57 1 M END