HMDB0289308 RDKit 3D PC(18:3(9,11,15)-OH(13)/DiMe(9,3)) 132132 0 0 0 0 0 0 0 0999 V2000 -7.7552 -0.1798 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1184 -0.8750 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9067 -0.9174 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7862 -0.3694 -1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 -0.5131 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 -1.2433 -3.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 -2.5089 -3.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 -1.4861 -4.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -0.6228 -4.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 -0.9766 -5.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -0.2306 -5.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.7732 -6.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -0.8103 -5.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.5317 -4.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.3533 -4.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 1.6216 -3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 1.2400 -2.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 0.7988 -1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 0.2916 -0.2060 C 0 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49 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 55 47 2 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 35103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 M CHG 2 28 -1 32 1 M END