HMDB0289411 RDKit 3D PC(DiMe(9,5)/18:3(9,11,15)-OH(13)) 138138 0 0 0 0 0 0 0 0999 V2000 0.2517 -3.4661 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 -2.3069 -0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 -1.3767 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.0991 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6254 0.8880 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 2.0172 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7132 2.9088 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 2.5605 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 2.5454 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 2.5372 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.9718 1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 2.0695 1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2196 0.6694 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 -0.0670 3.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 -0.4250 3.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 -1.2212 3.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -1.5774 4.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -2.3080 4.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7714 -1.9061 4.1713 C 0 0 0 0 0 0 0 0 0 0 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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 37 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 35 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 38107 1 0 38108 1 0 39109 1 0 39110 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