HMDB0289064 RDKit 3D PC(DiMe(11,5)/18:1(12Z)-2OH(9,10)) 149149 0 0 0 0 0 0 0 0999 V2000 -5.9715 6.0139 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 5.5551 2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 5.9240 2.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 5.5033 4.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 5.9253 4.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 7.3860 4.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 8.0671 3.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7632 7.4173 2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 7.8292 2.2365 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3444 7.1659 1.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 7.7194 3.5122 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6647 8.3710 4.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 6.3880 4.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6434 5.5519 3.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 4.2916 3.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 3.3789 3.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2203 2.8052 1.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 1.9857 1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7941 1.2446 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1613 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1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 6 10 78 1 0 11 79 1 6 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 47129 1 0 47130 1 0 47131 1 0 49132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 59141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 M CHG 2 54 -1 58 1 M END