HMDB0287228 RDKit 3D PC(20:2(11Z,14Z)/18:3(10,12,15)-OH(9)) 139138 0 0 0 0 0 0 0 0999 V2000 7.1527 -0.8892 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2402 -0.2263 -4.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0258 1.2546 -3.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 1.8592 -2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6661 3.3080 -2.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3784 3.6212 -2.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 4.3515 -2.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.6297 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 5.3478 -2.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 5.6122 -1.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 6.9946 -1.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 5.1085 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 5.4265 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 4.8865 1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 5.0756 2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 4.4752 3.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 4.5313 4.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 3.8875 6.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 2.4490 5.8314 C 0 0 0 0 0 0 0 0 0 0 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2 0 19 21 1 0 21 22 1 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END