HMDB0289167 RDKit 3D PC(DiMe(13,5)/18:1(12Z)-2OH(9,10)) 155155 0 0 0 0 0 0 0 0999 V2000 -3.4289 0.4769 3.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1257 -1.0075 3.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9134 -1.3530 4.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -0.5928 3.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 -0.9502 4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 -0.4309 4.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 0.3973 3.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.0920 2.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 2.5909 2.4049 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0308 3.0185 1.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 3.2440 2.4679 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8306 2.9278 1.3634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 4.7181 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 5.5407 1.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 5.5484 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 6.4492 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 6.6525 -2.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 5.5452 -3.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 4.8223 -3.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 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42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 42 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 23 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 50 40 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 1 10 80 1 0 11 81 1 1 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 1 0 49135 1 0 49136 1 0 49137 1 0 51138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 61147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M CHG 2 56 -1 60 1 M END