HMDB0013452 RDKit 3D PC(O-22:1(13Z)/22:2(13Z,16Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -0.7826 -1.2581 -5.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.0033 -5.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 -0.5431 -6.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 -0.2920 -6.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 0.8363 -5.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 2.0922 -6.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 2.8422 -5.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 2.5526 -4.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 2.4088 -4.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 3.1377 -3.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 4.2693 -2.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2313 5.5742 -3.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 5.5717 -3.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4896 5.5078 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9816 5.4451 -2.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 4.1692 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0246 2.9764 -2.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2572 1.6540 -3.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0154 0.5139 -2.1259 C 0 0 0 0 0 0 0 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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 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 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 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 49146 1 0 50147 1 0 50148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 59153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 M CHG 2 54 -1 58 1 M END