HMDB0289100 RDKit 3D PC(18:3(9,11,15)-OH(13)/DiMe(11,5)) 144144 0 0 0 0 0 0 0 0999 V2000 7.0073 1.1555 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 0.9899 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 0.8088 -1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 0.8184 -1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 0.6353 -1.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -0.5876 -1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 -0.7541 -2.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -0.5210 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -0.5239 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 -0.4516 1.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -0.4547 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 -0.3741 4.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8838 4.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 2.1068 3.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 3.3655 4.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1941 4.6476 3.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 5.0006 2.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 4.2161 1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 4.8521 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 -2.8179 -6.3463 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 51 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 49 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 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 22 90 1 0 22 91 1 0 23 92 1 6 24 93 1 0 24 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 35107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 58139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 28 -1 32 1 M END