HMDB0288994 RDKit 3D PC(DiMe(11,3)/18:3(10,12,15)-OH(9)) 138138 0 0 0 0 0 0 0 0999 V2000 2.7336 8.5473 2.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 7.9598 3.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 7.8200 3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 8.1842 2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 8.0715 1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 7.1851 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 6.0484 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 5.2263 -0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0903 4.0921 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 3.2436 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 3.0195 -3.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 1.9290 -1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 1.0282 -3.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3919 -0.2448 -2.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -0.9796 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -2.3075 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -3.2519 -2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 -4.5687 -2.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -4.5082 -1.6246 C 0 0 0 0 0 0 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0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 22 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 45 37 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 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 1 23 89 1 0 23 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 44118 1 0 44119 1 0 44120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 51 -1 55 1 M END